3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]benzoic acid CAS Name: 3-[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]benzoic acid Traditional Name: 3-[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]benzoic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2CCNCC2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2CCNCC2)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H27N3O4/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/h1,3,5-7,13,15,17,22H,2,4,8-12,14H2,(H,23,26)(H,27,28)/b7-6+