methyl 4-[3,5-bis[[(6aS,8E)-8-ethylidene-2-methoxy-11-oxidanylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]phenoxy]butanoate

Systemtic Name: methyl 4-[3,5-bis[[(6aS,8E)-8-ethylidene-2-methoxy-11-oxidanylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]phenoxy]butanoate Openeye Name: methyl 4-[3,5-bis[[(6aS,8E)-8-ethylidene-2-methoxy-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]phenoxy]butanoate CAS Name: 4-[3,5-bis[[(6aS,8E)-8-ethylidene-2-methoxy-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]phenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[3,5-bis[[(6aS,8E)-8-ethylidene-2-methoxy-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]phenoxy]butanoate Traditional Name: 4-[3,5-bis[[(6aS,8E)-8-ethylidene-11-keto-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]phenoxy]butyric acid methyl ester Formula: C43H46N4O9 MolecularWeight: 762.84674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C1CC2C=NC3=CC(=C(C=C3C(=O)N2C1)OC)OCC4=CC(=CC(=C4)OCCCC(=O)OC)COC5=C(C=C6C(=C5)N=CC7CC(=CC)CN7C6=O)OC

Isomeric SMILES

C/C=C/1\C[C@H]2C=NC3=CC(=C(C=C3C(=O)N2C1)OC)OCC4=CC(=CC(=C4)OCCCC(=O)OC)COC5=C(C=C6C(=C5)N=C[C@@H]7C/C(=C\C)/CN7C6=O)OC

InChI

InChI=1S/C43H46N4O9/c1-6-26-12-30-20-44-35-18-39(37(51-3)16-33(35)42(49)46(30)22-26)55-24-28-11-29(15-32(14-28)54-10-8-9-41(48)53-5)25-56-40-19-36-34(17-38(40)52-4)43(50)47-23-27(7-2)13-31(47)21-45-36/h6-7,11,14-21,30-31H,8-10,12-13,22-25H2,1-5H3/b26-6+,27-7+/t30-,31-/m0/s1