methyl 3-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)OC)C)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-5-6-11-24-19(21)16(14(3)23-24)9-10-18(25)22-17-12-15(20(26)27-4)8-7-13(17)2/h7-10,12H,5-6,11H2,1-4H3,(H,22,25)/b10-9+