[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C22H26N4O4/c1-15-19(16(2)26(25-15)18-10-4-3-5-11-18)12-13-21(28)30-14-20(27)24-22(29)23-17-8-6-7-9-17/h3-5,10-13,17H,6-9,14H2,1-2H3,(H2,23,24,27,29)