2-[8-(hydroxymethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-(hydroxymethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-(hydroxymethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-(hydroxymethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-(hydroxymethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-(3-keto-8-methylol-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)CO)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)CO)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C20H22N2O4/c23-13-15-6-7-16-12-22(9-8-14-4-2-1-3-5-14)20(26)18(11-19(24)25)21-17(16)10-15/h1-7,10,18,21,23H,8-9,11-13H2,(H,24,25)