methyl (3S)-5-phenyl-3-[[(3R)-piperidin-3-yl]carbonylamino]pent-4-ynoate

Systemtic Name: methyl (3S)-5-phenyl-3-[[(3R)-piperidin-3-yl]carbonylamino]pent-4-ynoate Openeye Name: methyl (3S)-5-phenyl-3-[[(3R)-piperidine-3-carbonyl]amino]pent-4-ynoate CAS Name: (3S)-3-[[oxo-[(3R)-3-piperidinyl]methyl]amino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl (3S)-5-phenyl-3-[[(3R)-piperidine-3-carbonyl]amino]pent-4-ynoate Traditional Name: (3S)-3-[[(3R)-nipecotoyl]amino]-5-phenyl-pent-4-ynoic acid methyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C#CC1=CC=CC=C1)NC(=O)C2CCCNC2

Isomeric SMILES

COC(=O)C[C@@H](C#CC1=CC=CC=C1)NC(=O)[C@@H]2CCCNC2

InChI

InChI=1S/C18H22N2O3/c1-23-17(21)12-16(10-9-14-6-3-2-4-7-14)20-18(22)15-8-5-11-19-13-15/h2-4,6-7,15-16,19H,5,8,11-13H2,1H3,(H,20,22)/t15-,16-/m1/s1