2-[7-(3-azanylpropoxy)-2-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[7-(3-azanylpropoxy)-2-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]ethanoic acid Openeye Name: 2-[7-(3-aminopropoxy)-1-benzyl-2-oxo-3-quinolyl]acetic acid CAS Name: 2-[7-(3-aminopropoxy)-2-oxo-1-(phenylmethyl)-3-quinolinyl]acetic acid IUPAC Name: 2-[7-(3-aminopropoxy)-1-benzyl-2-oxoquinolin-3-yl]acetic acid Traditional Name: 2-[7-(3-aminopropoxy)-1-benzyl-2-keto-3-quinolyl]acetic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)OCCCN)C=C(C2=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)OCCCN)C=C(C2=O)CC(=O)O

InChI

InChI=1S/C21H22N2O4/c22-9-4-10-27-18-8-7-16-11-17(12-20(24)25)21(26)23(19(16)13-18)14-15-5-2-1-3-6-15/h1-3,5-8,11,13H,4,9-10,12,14,22H2,(H,24,25)