[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[4-[(1R)-1-methylpropyl]phenyl]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-[4-[(1R)-1-methylpropyl]phenyl]ethyl] ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC=C(C=C3)C(C)CC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC=C(C=C3)[C@H](C)CC

InChI

InChI=1S/C25H27NO3/c1-5-16(3)18-11-13-19(14-12-18)23(27)15-29-25(28)24-17(4)21(6-2)26-22-10-8-7-9-20(22)24/h7-14,16H,5-6,15H2,1-4H3/t16-/m1/s1