carboxy 2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: carboxy 2-(3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: carboxy 2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid carboxy ester IUPAC Name: carboxy 2-(3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid carboxy ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)OC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)OC(=O)O

InChI

InChI=1S/C20H20N2O5/c23-18(27-20(25)26)12-17-19(24)22(11-10-14-6-2-1-3-7-14)13-15-8-4-5-9-16(15)21-17/h1-9,17,21H,10-13H2,(H,25,26)