ethyl 3-[4-[1-(4-cyano-4-phenyl-piperidin-1-yl)carbonylpiperidin-4-yl]piperidin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[4-[1-(4-cyano-4-phenyl-piperidin-1-yl)carbonylpiperidin-4-yl]piperidin-1-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[4-[1-(4-cyano-4-phenyl-piperidine-1-carbonyl)-4-piperidyl]-1-piperidyl]-3-oxo-propanoate CAS Name: 3-[4-[1-[(4-cyano-4-phenyl-1-piperidinyl)-oxomethyl]-4-piperidinyl]-1-piperidinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[1-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-4-yl]piperidin-1-yl]-3-oxopropanoate Traditional Name: 3-[4-[1-(4-cyano-4-phenyl-piperidine-1-carbonyl)-4-piperidyl]piperidino]-3-keto-propionic acid ethyl ester Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N1CCC(CC1)C2CCN(CC2)C(=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(=O)N1CCC(CC1)C2CCN(CC2)C(=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H38N4O4/c1-2-36-26(34)20-25(33)30-14-8-22(9-15-30)23-10-16-31(17-11-23)27(35)32-18-12-28(21-29,13-19-32)24-6-4-3-5-7-24/h3-7,22-23H,2,8-20H2,1H3