1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]pyrrole-3-carboxylic acid

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-[[(4-methylcyclohexyl)amino]methyl]-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C24H32N2O2 MolecularWeight: 380.52308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=C(C=C3)C=C)C

Isomeric SMILES

CC1CCC(CC1)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=C(C=C3)C=C)C

InChI

InChI=1S/C24H32N2O2/c1-5-19-8-10-20(11-9-19)15-26-17(3)22(23(18(26)4)24(27)28)14-25-21-12-6-16(2)7-13-21/h5,8-11,16,21,25H,1,6-7,12-15H2,2-4H3,(H,27,28)