3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]benzoic acid CAS Name: 3-[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 3-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]benzoic acid Traditional Name: 3-[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]benzoic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H29N3O4/c25-19(7-6-15-8-10-22-11-9-15)24-12-2-4-17(14-24)20(26)23-18-5-1-3-16(13-18)21(27)28/h1,3,5,13,15,17,22H,2,4,6-12,14H2,(H,23,26)(H,27,28)