[2-(cyclohexylamino)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propenoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C19H28ClN3O3 MolecularWeight: 381.89692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)OCC(=O)NC2CCCCC2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)NC2CCCCC2)Cl

InChI

InChI=1S/C19H28ClN3O3/c1-3-4-12-23-19(20)16(14(2)22-23)10-11-18(25)26-13-17(24)21-15-8-6-5-7-9-15/h10-11,15H,3-9,12-13H2,1-2H3,(H,21,24)/b11-10+