ethyl 3-[1-(diphenylmethyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate

Systemtic Name: ethyl 3-[1-(diphenylmethyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-(1-benzhydryl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-[1-(diphenylmethyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-benzhydryl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoate Traditional Name: 3-(1-benzhydryl-2,5-diketo-3H-1,4-benzodiazepin-4-yl)propionic acid ethyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)N(C2=CC=CC=C2C1=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=CC=CC=C2C1=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c1-2-33-25(31)17-18-28-19-24(30)29(23-16-10-9-15-22(23)27(28)32)26(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,26H,2,17-19H2,1H3