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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c25-19(8-3-15-9-11-22-12-10-15)24-13-1-2-17(14-24)20(26)23-18-6-4-16(5-7-18)21(27)28/h3-8,15,17,22H,1-2,9-14H2,(H,23,26)(H,27,28)/b8-3+