[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O3/c1-15-7-8-16(2)20(13-15)24-21(25)14-27-22(26)12-11-18-10-9-17-5-3-4-6-19(17)23-18/h3-10,13H,11-12,14H2,1-2H3,(H,24,25)