4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[[2-(1-cyclohexenyl)ethylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCCC3=CCCCC3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCCC3=CCCCC3

InChI

InChI=1S/C23H30N2O2/c1-17-21(15-24-14-13-19-9-5-3-6-10-19)22(23(26)27)18(2)25(17)16-20-11-7-4-8-12-20/h4,7-9,11-12,24H,3,5-6,10,13-16H2,1-2H3,(H,26,27)