4,5-dimethoxy-2-[[(E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]amino]benzoate

Systemtic Name: 4,5-dimethoxy-2-[[(E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]amino]benzoate Openeye Name: 2-[[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]amino]-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[(E)-1-oxo-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]benzoate IUPAC Name: 2-[[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]amino]-4,5-dimethoxy-benzoate Formula: C27H23N4O5- MolecularWeight: 483.49532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H24N4O5/c1-35-23-13-21(27(33)34)22(14-24(23)36-2)29-25(32)11-10-20-17-31(16-18-7-4-3-5-8-18)30-26(20)19-9-6-12-28-15-19/h3-15,17H,16H2,1-2H3,(H,29,32)(H,33,34)/p-1/b11-10+