2-[[[1-(3-piperidin-4-ylphenyl)carbonylpiperidin-3-yl]carbonylamino]methyl]but-3-ynoic acid

Systemtic Name: 2-[[[1-(3-piperidin-4-ylphenyl)carbonylpiperidin-3-yl]carbonylamino]methyl]but-3-ynoic acid Openeye Name: 2-[[[1-[3-(4-piperidyl)benzoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid CAS Name: 2-[[[oxo-[1-[oxo-[3-(4-piperidinyl)phenyl]methyl]-3-piperidinyl]methyl]amino]methyl]-3-butynoic acid IUPAC Name: 2-[[[1-(3-piperidin-4-ylbenzoyl)piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid Traditional Name: 2-[[[1-[3-(4-piperidyl)benzoyl]nipecotoyl]amino]methyl]but-3-ynoic acid Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)C3CCNCC3)C(=O)O

Isomeric SMILES

C#CC(CNC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)C3CCNCC3)C(=O)O

InChI

InChI=1S/C23H29N3O4/c1-2-16(23(29)30)14-25-21(27)20-7-4-12-26(15-20)22(28)19-6-3-5-18(13-19)17-8-10-24-11-9-17/h1,3,5-6,13,16-17,20,24H,4,7-12,14-15H2,(H,25,27)(H,29,30)