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

Systemtic Name: dodecyl 4-chloranyl-3-[[3-(4-methoxyphenyl)-3-oxidanylidene-2-pyrazol-1-yl-propanoyl]amino]benzoate Openeye Name: dodecyl 4-chloro-3-[[3-(4-methoxyphenyl)-3-oxo-2-pyrazol-1-yl-propanoyl]amino]benzoate CAS Name: 4-chloro-3-[[3-(4-methoxyphenyl)-1,3-dioxo-2-(1-pyrazolyl)propyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[3-(4-methoxyphenyl)-3-oxo-2-pyrazol-1-ylpropanoyl]amino]benzoate Traditional Name: 4-chloro-3-[[3-keto-3-(4-methoxyphenyl)-2-pyrazol-1-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(C(=O)C2=CC=C(C=C2)OC)N3C=CC=N3

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=CC=C(C=C2)OC)N3C=CC=N3

InChI

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