3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[9-(diethylamino)-5-oxidanylidene-benzo[a]phenoxazin-2-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Systemtic Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[9-(diethylamino)-5-oxidanylidene-benzo[a]phenoxazin-2-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Openeye Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[9-(diethylamino)-5-oxo-benzo[a]phenoxazin-2-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxypropanenitrile CAS Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[9-(diethylamino)-5-oxo-2-benzo[a]phenoxazinyl]-3-oxolanyl]oxy-[di(propan-2-yl)amino]phosphino]oxypropanenitrile IUPAC Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile Traditional Name: 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[9-(diethylamino)-5-keto-benzo[a]phenoxazin-2-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphino]oxypropionitrile Formula: C55H61N4O8P MolecularWeight: 937.068601

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)C5CC(C(O5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)OP(N(C(C)C)C(C)C)OCCC#N)O2

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)[C@H]5C[C@@H]([C@H](O5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)OP(N(C(C)C)C(C)C)OCCC#N)O2

InChI

InChI=1S/C55H61N4O8P/c1-9-58(10-2)42-22-28-47-50(32-42)66-52-33-48(60)45-27-17-38(31-46(45)54(52)57-47)49-34-51(67-68(64-30-14-29-56)59(36(3)4)37(5)6)53(65-49)35-63-55(39-15-12-11-13-16-39,40-18-23-43(61-7)24-19-40)41-20-25-44(62-8)26-21-41/h11-13,15-28,31-33,36-37,49,51,53H,9-10,14,30,34-35H2,1-8H3/t49-,51+,53-,68?/m1/s1