methyl 3-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-butyl-3-(methoxymethyl)pyrazol-4-yl]-2-tert-butyl-6-phenyl-benzoate

Systemtic Name: methyl 3-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-butyl-3-(methoxymethyl)pyrazol-4-yl]-2-tert-butyl-6-phenyl-benzoate Openeye Name: methyl 3-[1-(2-amino-2-oxo-ethyl)-5-butyl-3-(methoxymethyl)pyrazol-4-yl]-2-tert-butyl-6-phenyl-benzoate CAS Name: 3-[1-(2-amino-2-oxoethyl)-5-butyl-3-(methoxymethyl)-4-pyrazolyl]-2-tert-butyl-6-phenylbenzoic acid methyl ester IUPAC Name: methyl 3-[1-(2-amino-2-oxoethyl)-5-butyl-3-(methoxymethyl)pyrazol-4-yl]-2-tert-butyl-6-phenylbenzoate Traditional Name: 3-[1-(2-amino-2-keto-ethyl)-5-butyl-3-(methoxymethyl)pyrazol-4-yl]-2-tert-butyl-6-phenyl-benzoic acid methyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NN1CC(=O)N)COC)C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)OC)C(C)(C)C

Isomeric SMILES

CCCCC1=C(C(=NN1CC(=O)N)COC)C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C29H37N3O4/c1-7-8-14-23-25(22(18-35-5)31-32(23)17-24(30)33)21-16-15-20(19-12-10-9-11-13-19)26(28(34)36-6)27(21)29(2,3)4/h9-13,15-16H,7-8,14,17-18H2,1-6H3,(H2,30,33)