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

Systemtic Name: 3-methylbutyl 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C24H39N3O4 MolecularWeight: 433.58416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N3O4/c1-4-20(24(30)31-15-11-18(2)3)16-26-23(29)21-6-5-14-27(17-21)22(28)8-7-19-9-12-25-13-10-19/h1,18-21,25H,5-17H2,2-3H3,(H,26,29)