3-azanyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one; 2-oxidanyl-2-phenyl-ethanoic acid

Systemtic Name: 3-azanyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: 3-amino-1-[2-(o-tolyl)-2-oxo-ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one; 2-hydroxy-2-phenyl-acetic acid CAS Name: 3-amino-1-[2-(2-methylphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one; 2-hydroxy-2-phenylacetic acid IUPAC Name: 3-amino-1-[2-(2-methylphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one; 2-hydroxy-2-phenylacetic acid Traditional Name: 3-amino-1-[2-keto-2-(o-tolyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one; madelic acid Formula: C32H29N3O5 MolecularWeight: 535.58976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C24H21N3O2.C8H8O3/c1-16-9-5-6-12-18(16)21(28)15-27-20-14-8-7-13-19(20)22(26-23(25)24(27)29)17-10-3-2-4-11-17;9-7(8(10)11)6-4-2-1-3-5-6/h2-14,23H,15,25H2,1H3;1-5,7,9H,(H,10,11)