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

Systemtic Name: 2-[5-(3-hydroxyphenyl)-2-oxidanylidene-1-pentyl-3H-1,4-benzodiazepin-3-yl]ethanoic acid Openeye Name: 2-[5-(3-hydroxyphenyl)-2-oxo-1-pentyl-3H-1,4-benzodiazepin-3-yl]acetic acid CAS Name: 2-[5-(3-hydroxyphenyl)-2-oxo-1-pentyl-3H-1,4-benzodiazepin-3-yl]acetic acid IUPAC Name: 2-[5-(3-hydroxyphenyl)-2-oxo-1-pentyl-3H-1,4-benzodiazepin-3-yl]acetic acid Traditional Name: 2-[1-amyl-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]acetic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=NC(C1=O)CC(=O)O)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=NC(C1=O)CC(=O)O)C3=CC(=CC=C3)O

InChI

InChI=1S/C22H24N2O4/c1-2-3-6-12-24-19-11-5-4-10-17(19)21(15-8-7-9-16(25)13-15)23-18(22(24)28)14-20(26)27/h4-5,7-11,13,18,25H,2-3,6,12,14H2,1H3,(H,26,27)