2-[1-[(4-ethylphenyl)methyl]-2-oxidanylidene-quinolin-4-yl]propanoic acid

Systemtic Name: 2-[1-[(4-ethylphenyl)methyl]-2-oxidanylidene-quinolin-4-yl]propanoic acid Openeye Name: 2-[1-[(4-ethylphenyl)methyl]-2-oxo-4-quinolyl]propanoic acid CAS Name: 2-[1-[(4-ethylphenyl)methyl]-2-oxo-4-quinolinyl]propanoic acid IUPAC Name: 2-[1-[(4-ethylphenyl)methyl]-2-oxoquinolin-4-yl]propanoic acid Traditional Name: 2-[1-(4-ethylbenzyl)-2-keto-4-quinolyl]propionic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC2=O)C(C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC2=O)C(C)C(=O)O

InChI

InChI=1S/C21H21NO3/c1-3-15-8-10-16(11-9-15)13-22-19-7-5-4-6-17(19)18(12-20(22)23)14(2)21(24)25/h4-12,14H,3,13H2,1-2H3,(H,24,25)