dodecyl 3-[[1-(6-chloranyl-4,6-dimethyl-cyclohexa-2,4-dien-1-yl)-5-oxidanylidene-4H-pyrazol-3-yl]amino]-4-methoxy-benzoate

Systemtic Name: dodecyl 3-[[1-(6-chloranyl-4,6-dimethyl-cyclohexa-2,4-dien-1-yl)-5-oxidanylidene-4H-pyrazol-3-yl]amino]-4-methoxy-benzoate Openeye Name: dodecyl 3-[[1-(6-chloro-4,6-dimethyl-cyclohexa-2,4-dien-1-yl)-5-oxo-4H-pyrazol-3-yl]amino]-4-methoxy-benzoate CAS Name: 3-[[1-(6-chloro-4,6-dimethyl-1-cyclohexa-2,4-dienyl)-5-oxo-4H-pyrazol-3-yl]amino]-4-methoxybenzoic acid dodecyl ester IUPAC Name: dodecyl 3-[[1-(6-chloro-4,6-dimethylcyclohexa-2,4-dien-1-yl)-5-oxo-4H-pyrazol-3-yl]amino]-4-methoxybenzoate Traditional Name: 3-[[1-(6-chloro-4,6-dimethyl-cyclohexa-2,4-dien-1-yl)-5-keto-2-pyrazolin-3-yl]amino]-4-methoxy-benzoic acid lauryl ester Formula: C31H44ClN3O4 MolecularWeight: 558.15176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OC)NC2=NN(C(=O)C2)C3C=CC(=CC3(C)Cl)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OC)NC2=NN(C(=O)C2)C3C=CC(=CC3(C)Cl)C

InChI

InChI=1S/C31H44ClN3O4/c1-5-6-7-8-9-10-11-12-13-14-19-39-30(37)24-16-17-26(38-4)25(20-24)33-28-21-29(36)35(34-28)27-18-15-23(2)22-31(27,3)32/h15-18,20,22,27H,5-14,19,21H2,1-4H3,(H,33,34)