[(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [(1R)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [(1R)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H22ClN3O4 MolecularWeight: 487.93428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H22ClN3O4/c1-16(26(33)30-21-13-11-20(12-14-21)29-17(2)32)35-27(34)23-15-25(18-7-9-19(28)10-8-18)31-24-6-4-3-5-22(23)24/h3-16H,1-2H3,(H,29,32)(H,30,33)/t16-/m1/s1