[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C22H22N2O3/c1-14(2)20-12-17(16-9-5-7-11-19(16)23-20)22(26)27-13-21(25)24-18-10-6-4-8-15(18)3/h4-12,14H,13H2,1-3H3,(H,24,25)