2-(1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)ethanoic acid

Systemtic Name: 2-(1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)ethanoic acid Openeye Name: 2-(1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid CAS Name: 2-(1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid IUPAC Name: 2-(1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid Traditional Name: 2-(3-keto-1-methyl-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)N(CC2=CC=CC=C21)CCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN1C(C(=O)N(CC2=CC=CC=C21)CCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C20H22N2O3/c1-21-17-10-6-5-9-16(17)14-22(20(25)18(21)13-19(23)24)12-11-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,23,24)