dodecyl 4-chloranyl-3-[[3-(4-methoxyphenyl)-3-oxidanylidene-2-(1H-pyrazol-5-yl)propanoyl]amino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[[3-(4-methoxyphenyl)-3-oxidanylidene-2-(1H-pyrazol-5-yl)propanoyl]amino]benzoate Openeye Name: dodecyl 4-chloro-3-[[3-(4-methoxyphenyl)-3-oxo-2-(1H-pyrazol-5-yl)propanoyl]amino]benzoate CAS Name: 4-chloro-3-[[3-(4-methoxyphenyl)-1,3-dioxo-2-(1H-pyrazol-5-yl)propyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[3-(4-methoxyphenyl)-3-oxo-2-(1H-pyrazol-5-yl)propanoyl]amino]benzoate Traditional Name: 4-chloro-3-[[3-keto-3-(4-methoxyphenyl)-2-(1H-pyrazol-5-yl)propanoyl]amino]benzoic acid lauryl ester Formula: C32H40ClN3O5 MolecularWeight: 582.1301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C2=CC=NN2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C2=CC=NN2)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C32H40ClN3O5/c1-3-4-5-6-7-8-9-10-11-12-21-41-32(39)24-15-18-26(33)28(22-24)35-31(38)29(27-19-20-34-36-27)30(37)23-13-16-25(40-2)17-14-23/h13-20,22,29H,3-12,21H2,1-2H3,(H,34,36)(H,35,38)