[2-(butylamino)-2-oxidanylidene-ethyl] 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4/c1-3-4-14-25-22(28)17-31-24(29)20-16-27(15-18-10-6-5-7-11-18)26-23(20)19-12-8-9-13-21(19)30-2/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,25,28)