ethyl 4-[[[2-[[5-methyl-2-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-(2-methylpropyl)carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[[2-[[5-methyl-2-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-(2-methylpropyl)carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[isobutyl-[2-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]carbamoyl]amino]benzoate CAS Name: 4-[[[[2-[[5-methyl-2-(4-methylphenyl)-4-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-[[5-methyl-2-(4-methylphenyl)-4-phenylpyrazol-3-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]benzoate Traditional Name: 4-[[isobutyl-[2-keto-2-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]ethyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C33H37N5O4 MolecularWeight: 567.67798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC(C)C)CC(=O)NC2=C(C(=NN2C3=CC=C(C=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC(C)C)CC(=O)NC2=C(C(=NN2C3=CC=C(C=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C33H37N5O4/c1-6-42-32(40)26-14-16-27(17-15-26)34-33(41)37(20-22(2)3)21-29(39)35-31-30(25-10-8-7-9-11-25)24(5)36-38(31)28-18-12-23(4)13-19-28/h7-19,22H,6,20-21H2,1-5H3,(H,34,41)(H,35,39)