[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C26H29N3O4/c1-5-9-22-20(6-2)24(21-10-7-8-11-23(21)29-22)26(32)33-16(3)25(31)28-19-14-12-18(13-15-19)27-17(4)30/h7-8,10-16H,5-6,9H2,1-4H3,(H,27,30)(H,28,31)