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

Systemtic Name: methyl 4-[[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]methyl]benzoate CAS Name: 4-[[[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]methyl]benzoate Traditional Name: 4-[[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]amino]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)NCC2=CC=C(C=C2)C(=O)OC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)OC)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-4-5-12-24-19(21)17(14(2)23-24)10-11-18(25)22-13-15-6-8-16(9-7-15)20(26)27-3/h6-11H,4-5,12-13H2,1-3H3,(H,22,25)/b11-10+