[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [2-[(1-benzyl-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O3/c1-3-23-26(19(2)22-11-7-8-12-24(22)29-23)27(32)33-18-25(31)28-21-13-15-30(16-14-21)17-20-9-5-4-6-10-20/h4-12,21H,3,13-18H2,1-2H3,(H,28,31)