1-(4-iodophenyl)-4-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-iodophenyl)-4-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrrole-3-carboxylic acid Openeye Name: 1-(4-iodophenyl)-4-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrrole-3-carboxylic acid CAS Name: 1-(4-iodophenyl)-4-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-3-pyrrolecarboxylic acid IUPAC Name: 1-(4-iodophenyl)-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrrole-3-carboxylic acid Traditional Name: 1-(4-iodophenyl)-4-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrrole-3-carboxylic acid Formula: C22H27IN2O3 MolecularWeight: 494.36585

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=CN(C=C2C(=O)O)C3=CC=C(C=C3)I)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=CN(C=C2C(=O)O)C3=CC=C(C=C3)I)C(C)C

InChI

InChI=1S/C22H27IN2O3/c1-14(2)25(21(26)16-6-4-15(3)5-7-16)20-13-24(12-19(20)22(27)28)18-10-8-17(23)9-11-18/h8-16H,4-7H2,1-3H3,(H,27,28)