2-methylpropyl 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoate

Systemtic Name: 2-methylpropyl 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoate Openeye Name: isobutyl 2-[[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoate CAS Name: 2-[[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]methyl]-3-butynoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]methyl]but-3-ynoate Traditional Name: 2-[[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]methyl]but-3-ynoic acid isobutyl ester Formula: C23H37N3O4 MolecularWeight: 419.55758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C#C

Isomeric SMILES

CC(C)COC(=O)C(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C#C

InChI

InChI=1S/C23H37N3O4/c1-4-19(23(29)30-16-17(2)3)14-25-22(28)20-6-5-13-26(15-20)21(27)8-7-18-9-11-24-12-10-18/h1,17-20,24H,5-16H2,2-3H3,(H,25,28)