[2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[2-(isobutylcarbamoyl)anilino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[2-[(2-methylpropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[2-(isobutylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)NCC(C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)NCC(C)C

InChI

InChI=1S/C26H29N3O4/c1-5-20-17(4)24(18-10-6-8-12-21(18)28-20)26(32)33-15-23(30)29-22-13-9-7-11-19(22)25(31)27-14-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,27,31)(H,29,30)