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

Systemtic Name: 2-[1-butyl-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoic acid Openeye Name: 2-[1-butyl-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid CAS Name: 2-[1-butyl-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid IUPAC Name: 2-[1-butyl-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid Traditional Name: 2-[1-butyl-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]acetic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=NC(C1=O)CC(=O)O)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=NC(C1=O)CC(=O)O)C3=CC(=CC=C3)O

InChI

InChI=1S/C21H22N2O4/c1-2-3-11-23-18-10-5-4-9-16(18)20(14-7-6-8-15(24)12-14)22-17(21(23)27)13-19(25)26/h4-10,12,17,24H,2-3,11,13H2,1H3,(H,25,26)