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

Systemtic Name: 3-methyl-4-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]benzoic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4/c1-16-15-19(23(28)29)8-9-20(16)24-22(27)18-11-13-25(14-12-18)21(26)10-7-17-5-3-2-4-6-17/h2-10,15,18H,11-14H2,1H3,(H,24,27)(H,28,29)/b10-7+