ethyl 4-[[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C29H40N4O3/c1-2-36-29(35)33-20-16-25(17-21-33)30-24-14-18-32(19-15-24)27-12-7-11-26(22-27)31-28(34)13-6-10-23-8-4-3-5-9-23/h3-5,7-9,11-12,22,24-25,30H,2,6,10,13-21H2,1H3,(H,31,34)