[2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [2-[(4-ethoxy-4-keto-butyl)amino]-2-keto-ethyl] ester Formula: C26H29N3O6 MolecularWeight: 479.52496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCNC(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O6/c1-3-34-24(31)13-8-14-27-23(30)18-35-26(32)22-17-29(16-19-9-5-4-6-10-19)28-25(22)20-11-7-12-21(15-20)33-2/h4-7,9-12,15,17H,3,8,13-14,16,18H2,1-2H3,(H,27,30)