2-[1-(4-chlorophenyl)carbonyl-2,2-dimethyl-3,4-dihydroquinolin-6-yl]propanoic acid

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-2,2-dimethyl-3,4-dihydroquinolin-6-yl]propanoic acid Openeye Name: 2-[1-(4-chlorobenzoyl)-2,2-dimethyl-3,4-dihydroquinolin-6-yl]propanoic acid CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-2,2-dimethyl-3,4-dihydroquinolin-6-yl]propanoic acid IUPAC Name: 2-[1-(4-chlorobenzoyl)-2,2-dimethyl-3,4-dihydroquinolin-6-yl]propanoic acid Traditional Name: 2-[1-(4-chlorobenzoyl)-2,2-dimethyl-3,4-dihydroquinolin-6-yl]propionic acid Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N(C(CC2)(C)C)C(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)N(C(CC2)(C)C)C(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H22ClNO3/c1-13(20(25)26)15-6-9-18-16(12-15)10-11-21(2,3)23(18)19(24)14-4-7-17(22)8-5-14/h4-9,12-13H,10-11H2,1-3H3,(H,25,26)