2-[5-(3-hydroxyphenyl)-2-oxidanylidene-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(3-hydroxyphenyl)-2-oxidanylidene-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-benzyl-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(3-hydroxyphenyl)-2-oxo-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[3-benzyl-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-benzyl-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC(=CC=C4)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC(=CC=C4)O)CC(=O)O

InChI

InChI=1S/C24H20N2O4/c27-18-10-6-9-17(14-18)23-19-11-4-5-12-21(19)26(15-22(28)29)24(30)20(25-23)13-16-7-2-1-3-8-16/h1-12,14,20,27H,13,15H2,(H,28,29)