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

Systemtic Name: 4-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-phenyl-pyrrole-3-carboxylic acid Openeye Name: 4-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-phenyl-pyrrole-3-carboxylic acid CAS Name: 4-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-phenylpyrrole-3-carboxylic acid Traditional Name: 4-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-phenyl-pyrrole-3-carboxylic acid Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-15(2)24(21(25)17-11-9-16(3)10-12-17)20-14-23(13-19(20)22(26)27)18-7-5-4-6-8-18/h4-8,13-17H,9-12H2,1-3H3,(H,26,27)