tert-butyl (3R)-1-ethyl-8-methoxy-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylate

Systemtic Name: tert-butyl (3R)-1-ethyl-8-methoxy-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylate Openeye Name: tert-butyl (3R)-7-(4-tert-butoxycarbonylpiperazin-1-yl)-1-ethyl-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate CAS Name: (3R)-1-ethyl-8-methoxy-7-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-1-ethyl-8-methoxy-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate Traditional Name: (3R)-7-(4-tert-butoxycarbonylpiperazino)-1-ethyl-2-keto-8-methoxy-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C27H41N3O6 MolecularWeight: 503.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2CCC(C1=O)C(=O)OC(C)(C)C)N3CCN(CC3)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCN1C2=CC(=C(C=C2CC[C@H](C1=O)C(=O)OC(C)(C)C)N3CCN(CC3)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C27H41N3O6/c1-9-30-20-17-22(34-8)21(28-12-14-29(15-13-28)25(33)36-27(5,6)7)16-18(20)10-11-19(23(30)31)24(32)35-26(2,3)4/h16-17,19H,9-15H2,1-8H3/t19-/m1/s1