methyl 3-phenyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]propanoate

Systemtic Name: methyl 3-phenyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]propanoate Openeye Name: methyl 3-phenyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]propanoate Traditional Name: 3-phenyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]propionic acid methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3/c1-28-22(27)14-20(18-8-4-2-5-9-18)24-21(26)13-12-17-15-23-25(16-17)19-10-6-3-7-11-19/h2-13,15-16,20H,14H2,1H3,(H,24,26)/b13-12+