[2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-keto-ethyl] ester Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C24H26N2O3/c1-4-17-9-11-19(12-10-17)23(16(2)3)26-22(27)15-29-24(28)21-14-13-18-7-5-6-8-20(18)25-21/h5-14,16,23H,4,15H2,1-3H3,(H,26,27)/t23-/m0/s1