[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,3-dimethoxyphenyl)acrylic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)OCC(=O)NC2=CC=NN2C3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)NC2=CC=NN2C3CCCC3

InChI

InChI=1S/C21H25N3O5/c1-27-17-9-5-6-15(21(17)28-2)10-11-20(26)29-14-19(25)23-18-12-13-22-24(18)16-7-3-4-8-16/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3,(H,23,25)/b11-10+