3-methyl-4-[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-methyl-4-[[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[(E)-1-oxo-3-[1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(E)-3-(1-benzylpyrazol-4-yl)acryloyl]amino]-3-methyl-benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3/c1-15-11-18(21(26)27)8-9-19(15)23-20(25)10-7-17-12-22-24(14-17)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,23,25)(H,26,27)/b10-7+