[3-[3-(1,7-diphenylheptan-4-ylcarbamoyl)piperidin-1-yl]-2-oxidanyl-propyl] quinoline-6-carboxylate

Systemtic Name: [3-[3-(1,7-diphenylheptan-4-ylcarbamoyl)piperidin-1-yl]-2-oxidanyl-propyl] quinoline-6-carboxylate Openeye Name: [2-hydroxy-3-[3-[[4-phenyl-1-(3-phenylpropyl)butyl]carbamoyl]-1-piperidyl]propyl] quinoline-6-carboxylate CAS Name: 6-quinolinecarboxylic acid [3-[3-[(1,7-diphenylheptan-4-ylamino)-oxomethyl]-1-piperidinyl]-2-hydroxypropyl] ester IUPAC Name: [3-[3-(1,7-diphenylheptan-4-ylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl] quinoline-6-carboxylate Traditional Name: quinoline-6-carboxylic acid [2-hydroxy-3-[3-[[4-phenyl-1-(3-phenylpropyl)butyl]carbamoyl]piperidino]propyl] ester Formula: C38H45N3O4 MolecularWeight: 607.7816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(COC(=O)C2=CC3=C(C=C2)N=CC=C3)O)C(=O)NC(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)CC(COC(=O)C2=CC3=C(C=C2)N=CC=C3)O)C(=O)NC(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C38H45N3O4/c42-35(28-45-38(44)32-21-22-36-31(25-32)17-9-23-39-36)27-41-24-10-18-33(26-41)37(43)40-34(19-7-15-29-11-3-1-4-12-29)20-8-16-30-13-5-2-6-14-30/h1-6,9,11-14,17,21-23,25,33-35,42H,7-8,10,15-16,18-20,24,26-28H2,(H,40,43)