methyl 12-(7,8-dimethoxy-4-oxidanylidene-1-phenyl-5H-2,3-benzodiazepin-3-yl)dodecanoate

Systemtic Name: methyl 12-(7,8-dimethoxy-4-oxidanylidene-1-phenyl-5H-2,3-benzodiazepin-3-yl)dodecanoate Openeye Name: methyl 12-(7,8-dimethoxy-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl)dodecanoate CAS Name: 12-(7,8-dimethoxy-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl)dodecanoic acid methyl ester IUPAC Name: methyl 12-(7,8-dimethoxy-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl)dodecanoate Traditional Name: 12-(4-keto-7,8-dimethoxy-1-phenyl-5H-2,3-benzodiazepin-3-yl)lauric acid methyl ester Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(=O)N(N=C2C3=CC=CC=C3)CCCCCCCCCCCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(=O)N(N=C2C3=CC=CC=C3)CCCCCCCCCCCC(=O)OC)OC

InChI

InChI=1S/C30H40N2O5/c1-35-26-20-24-21-28(33)32(19-15-10-8-6-4-5-7-9-14-18-29(34)37-3)31-30(23-16-12-11-13-17-23)25(24)22-27(26)36-2/h11-13,16-17,20,22H,4-10,14-15,18-19,21H2,1-3H3