methyl 3-[(2,5-dimethylpyrazol-3-yl)carbonylamino]-5-[[(1-phenylcyclohexyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-[(2,5-dimethylpyrazol-3-yl)carbonylamino]-5-[[(1-phenylcyclohexyl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoate CAS Name: 3-[[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-5-[[[oxo-(1-phenylcyclohexyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoate Traditional Name: 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoic acid methyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC(=CC(=C2)CNC(=O)C3(CCCCC3)C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC(=CC(=C2)CNC(=O)C3(CCCCC3)C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C28H32N4O4/c1-19-14-24(32(2)31-19)25(33)30-23-16-20(15-21(17-23)26(34)36-3)18-29-27(35)28(12-8-5-9-13-28)22-10-6-4-7-11-22/h4,6-7,10-11,14-17H,5,8-9,12-13,18H2,1-3H3,(H,29,35)(H,30,33)