[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4/c1-33-24-15-12-20(13-16-24)27-21(18-30(29-27)23-10-6-3-7-11-23)14-17-26(32)34-19-25(31)28-22-8-4-2-5-9-22/h3,6-7,10-18,22H,2,4-5,8-9,19H2,1H3,(H,28,31)