ethyl 3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[4-[(3,5-dimethyl-1-piperidyl)methyl]piperidine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[4-[(3,5-dimethyl-1-piperidinyl)methyl]-1-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-[(3,5-dimethylpiperidino)methyl]piperidine-1-carbonyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C25H39N3O3 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)N2CCC(CC2)CN3CC(CC(C3)C)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)N2CCC(CC2)CN3CC(CC(C3)C)C

InChI

InChI=1S/C25H39N3O3/c1-4-31-24(29)15-23(22-8-6-5-7-9-22)26-25(30)28-12-10-21(11-13-28)18-27-16-19(2)14-20(3)17-27/h5-9,19-21,23H,4,10-18H2,1-3H3,(H,26,30)