2-[8-chloranyl-5-(3-hydroxyphenyl)-2-oxidanylidene-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[8-chloranyl-5-(3-hydroxyphenyl)-2-oxidanylidene-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-benzyl-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[8-chloro-5-(3-hydroxyphenyl)-2-oxo-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[3-benzyl-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-benzyl-8-chloro-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C24H19ClN2O4 MolecularWeight: 434.87166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClN2O4/c25-17-9-10-19-21(13-17)27(14-22(29)30)24(31)20(11-15-5-2-1-3-6-15)26-23(19)16-7-4-8-18(28)12-16/h1-10,12-13,20,28H,11,14H2,(H,29,30)