[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 6-chloro-2-methyl-quinoline-3-carboxylate CAS Name: 6-chloro-2-methyl-3-quinolinecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 6-chloro-2-methylquinoline-3-carboxylate Traditional Name: 6-chloro-2-methyl-quinoline-3-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O3/c1-15-19(13-17-12-18(23)9-10-20(17)25-15)22(27)28-14-21(26)24-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,24,26)