2-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-pyridin-4-yl-pyrazol-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-pyridin-4-yl-pyrazol-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-[(E)-3-(4-methoxyphenyl)allyl]-5-(4-pyridyl)pyrazole-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-pyridin-4-yl-3-pyrazolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-pyridin-4-ylpyrazole-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[(E)-3-(4-methoxyphenyl)allyl]-5-(4-pyridyl)pyrazole-3-carbonyl]amino]-3-phenyl-propionic acid Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCN2C(=CC(=N2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CN2C(=CC(=N2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C28H26N4O4/c1-36-23-11-9-20(10-12-23)8-5-17-32-26(22-13-15-29-16-14-22)19-24(31-32)27(33)30-25(28(34)35)18-21-6-3-2-4-7-21/h2-16,19,25H,17-18H2,1H3,(H,30,33)(H,34,35)/b8-5+