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

Systemtic Name: 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-4-[[(2,3-dimethylcyclohexyl)amino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-4-[[(2,3-dimethylcyclohexyl)amino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-4-[[(2,3-dimethylcyclohexyl)amino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1CCCC(C1C)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H32N2O2/c1-15-9-8-12-21(16(15)2)24-13-20-17(3)25(18(4)22(20)23(26)27)14-19-10-6-5-7-11-19/h5-7,10-11,15-16,21,24H,8-9,12-14H2,1-4H3,(H,26,27)