propyl (2S)-2-[[4-[cyano(pyridin-3-yl)methyl]piperidin-1-yl]carbonyl-methyl-amino]-4-methyl-pentanoate

Systemtic Name: propyl (2S)-2-[[4-[cyano(pyridin-3-yl)methyl]piperidin-1-yl]carbonyl-methyl-amino]-4-methyl-pentanoate Openeye Name: propyl (2S)-2-[[4-[cyano(3-pyridyl)methyl]piperidine-1-carbonyl]-methyl-amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-[cyano(3-pyridinyl)methyl]-1-piperidinyl]-oxomethyl]-methylamino]-4-methylpentanoic acid propyl ester IUPAC Name: propyl (2S)-2-[[4-[cyano(pyridin-3-yl)methyl]piperidine-1-carbonyl]-methylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-[cyano(3-pyridyl)methyl]piperidine-1-carbonyl]-methyl-amino]-4-methyl-valeric acid propyl ester Formula: C23H34N4O3 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC(C)C)N(C)C(=O)N1CCC(CC1)C(C#N)C2=CN=CC=C2

Isomeric SMILES

CCCOC(=O)[C@H](CC(C)C)N(C)C(=O)N1CCC(CC1)C(C#N)C2=CN=CC=C2

InChI

InChI=1S/C23H34N4O3/c1-5-13-30-22(28)21(14-17(2)3)26(4)23(29)27-11-8-18(9-12-27)20(15-24)19-7-6-10-25-16-19/h6-7,10,16-18,20-21H,5,8-9,11-14H2,1-4H3/t20?,21-/m0/s1