[2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-oxo-2-(2-sec-butylanilino)ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(2-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-butan-2-ylanilino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-(2-sec-butylanilino)ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

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