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

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-azanyl-4-(4-chlorophenyl)-1H-pyrrole-3-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-amino-4-(4-chlorophenyl)-1H-pyrrole-3-carboxylate CAS Name: 2-amino-4-(4-chlorophenyl)-1H-pyrrole-3-carboxylic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 2-amino-4-(4-chlorophenyl)-1H-pyrrole-3-carboxylate Traditional Name: 2-amino-4-(4-chlorophenyl)-1H-pyrrole-3-carboxylic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C26H37ClN2O2 MolecularWeight: 445.03718

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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)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)N)C(C)(C)C

InChI

InChI=1S/C26H37ClN2O2/c1-15-12-19(25(2,3)4)22(20(13-15)26(5,6)7)31-24(30)21-18(14-29-23(21)28)16-8-10-17(27)11-9-16/h8-11,14-15,19-20,22,29H,12-13,28H2,1-7H3