2-chloranyldodecan-5-yl 2-(4-methoxyphenyl)carbonyl-3-oxidanylidene-3-phenylazanyl-2-pyrazol-1-yl-propanoate

Systemtic Name: 2-chloranyldodecan-5-yl 2-(4-methoxyphenyl)carbonyl-3-oxidanylidene-3-phenylazanyl-2-pyrazol-1-yl-propanoate Openeye Name: 1-(3-chlorobutyl)octyl 3-anilino-2-(4-methoxybenzoyl)-3-oxo-2-pyrazol-1-yl-propanoate CAS Name: 2-[anilino(oxo)methyl]-3-(4-methoxyphenyl)-3-oxo-2-(1-pyrazolyl)propanoic acid 2-chlorododecan-5-yl ester IUPAC Name: 2-chlorododecan-5-yl 3-anilino-2-(4-methoxybenzoyl)-3-oxo-2-pyrazol-1-ylpropanoate Traditional Name: 3-anilino-3-keto-2-p-anisoyl-2-pyrazol-1-yl-propionic acid 1-(3-chlorobutyl)octyl ester Formula: C32H40ClN3O5 MolecularWeight: 582.1301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCC(C)Cl)OC(=O)C(C(=O)C1=CC=C(C=C1)OC)(C(=O)NC2=CC=CC=C2)N3C=CC=N3

Isomeric SMILES

CCCCCCCC(CCC(C)Cl)OC(=O)C(C(=O)C1=CC=C(C=C1)OC)(C(=O)NC2=CC=CC=C2)N3C=CC=N3

InChI

InChI=1S/C32H40ClN3O5/c1-4-5-6-7-11-15-28(19-16-24(2)33)41-31(39)32(36-23-12-22-34-36,30(38)35-26-13-9-8-10-14-26)29(37)25-17-20-27(40-3)21-18-25/h8-10,12-14,17-18,20-24,28H,4-7,11,15-16,19H2,1-3H3,(H,35,38)