(2,6-ditert-butyl-4-methyl-cyclohexyl) 2-azanyl-4-(3,4-dichlorophenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-azanyl-4-(3,4-dichlorophenyl)-1H-pyrrole-3-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-amino-4-(3,4-dichlorophenyl)-1H-pyrrole-3-carboxylate CAS Name: 2-amino-4-(3,4-dichlorophenyl)-1H-pyrrole-3-carboxylic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 2-amino-4-(3,4-dichlorophenyl)-1H-pyrrole-3-carboxylate Traditional Name: 2-amino-4-(3,4-dichlorophenyl)-1H-pyrrole-3-carboxylic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C26H36Cl2N2O2 MolecularWeight: 479.48224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C(NC=C2C3=CC(=C(C=C3)Cl)Cl)N)C(C)(C)C

Isomeric SMILES

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C(NC=C2C3=CC(=C(C=C3)Cl)Cl)N)C(C)(C)C

InChI

InChI=1S/C26H36Cl2N2O2/c1-14-10-17(25(2,3)4)22(18(11-14)26(5,6)7)32-24(31)21-16(13-30-23(21)29)15-8-9-19(27)20(28)12-15/h8-9,12-14,17-18,22,30H,10-11,29H2,1-7H3