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

Systemtic Name: 2-[5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(4-hydroxybenzyl)-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C24H20N2O5 MolecularWeight: 416.426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC(=O)O)CC3=CC=C(C=C3)O)C4=CC(=CC=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC(=O)O)CC3=CC=C(C=C3)O)C4=CC(=CC=C4)O

InChI

InChI=1S/C24H20N2O5/c27-17-10-8-15(9-11-17)12-20-24(31)26(14-22(29)30)21-7-2-1-6-19(21)23(25-20)16-4-3-5-18(28)13-16/h1-11,13,20,27-28H,12,14H2,(H,29,30)