ethyl (2S)-2-[[4-[cyano(pyridin-3-yl)methyl]piperidin-1-yl]carbonyl-methyl-amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[4-[cyano(pyridin-3-yl)methyl]piperidin-1-yl]carbonyl-methyl-amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[4-[cyano(3-pyridyl)methyl]piperidine-1-carbonyl]-methyl-amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-[cyano(3-pyridinyl)methyl]-1-piperidinyl]-oxomethyl]-methylamino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[4-[cyano(pyridin-3-yl)methyl]piperidine-1-carbonyl]-methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-[cyano(3-pyridyl)methyl]piperidine-1-carbonyl]-methyl-amino]-3-phenyl-propionic acid ethyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N(C)C(=O)N2CCC(CC2)C(C#N)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)N2CCC(CC2)C(C#N)C3=CN=CC=C3

InChI

InChI=1S/C25H30N4O3/c1-3-32-24(30)23(16-19-8-5-4-6-9-19)28(2)25(31)29-14-11-20(12-15-29)22(17-26)21-10-7-13-27-18-21/h4-10,13,18,20,22-23H,3,11-12,14-16H2,1-2H3/t22?,23-/m0/s1