6-[(2-chlorophenyl)methyl]-4-oxidanylidene-1-phenethyl-quinoline-3-carboxylic acid

Systemtic Name: 6-[(2-chlorophenyl)methyl]-4-oxidanylidene-1-phenethyl-quinoline-3-carboxylic acid Openeye Name: 6-[(2-chlorophenyl)methyl]-4-oxo-1-phenethyl-quinoline-3-carboxylic acid CAS Name: 6-[(2-chlorophenyl)methyl]-4-oxo-1-phenethyl-3-quinolinecarboxylic acid IUPAC Name: 6-[(2-chlorophenyl)methyl]-4-oxo-1-phenethylquinoline-3-carboxylic acid Traditional Name: 6-(2-chlorobenzyl)-4-keto-1-phenethyl-quinoline-3-carboxylic acid Formula: C25H20ClNO3 MolecularWeight: 417.8842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)C3=C2C=CC(=C3)CC4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)C3=C2C=CC(=C3)CC4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C25H20ClNO3/c26-22-9-5-4-8-19(22)14-18-10-11-23-20(15-18)24(28)21(25(29)30)16-27(23)13-12-17-6-2-1-3-7-17/h1-11,15-16H,12-14H2,(H,29,30)