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

Systemtic Name: 4-methylpentyl 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoate Openeye Name: isohexyl 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 4-methylpentyl ester IUPAC Name: 4-methylpentyl 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 isohexyl ester Formula: C25H41N3O4 MolecularWeight: 447.61074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N3O4/c1-4-21(25(31)32-16-6-7-19(2)3)17-27-24(30)22-8-5-15-28(18-22)23(29)10-9-20-11-13-26-14-12-20/h1,19-22,26H,5-18H2,2-3H3,(H,27,30)