[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C31H30N2O3 MolecularWeight: 478.5815

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O3/c1-2-25-12-8-9-19-33(25)30(34)21-36-31(35)27-20-29(32-28-14-7-6-13-26(27)28)24-17-15-23(16-18-24)22-10-4-3-5-11-22/h3-7,10-11,13-18,20,25H,2,8-9,12,19,21H2,1H3/t25-/m0/s1