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

Systemtic Name: methyl 2-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H26ClN3O5 MolecularWeight: 435.90124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)Cl

InChI

InChI=1S/C21H26ClN3O5/c1-6-7-10-25-20(22)14(13(2)24-25)8-9-19(26)23-16-12-18(29-4)17(28-3)11-15(16)21(27)30-5/h8-9,11-12H,6-7,10H2,1-5H3,(H,23,26)/b9-8+