4-[(cycloheptylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 4-[(cycloheptylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[(cycloheptylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[(cycloheptylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 4-[(cycloheptylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[(cycloheptylamino)methyl]-1-m-anisyl-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC(=CC=C2)OC)C)C(=O)O)CNC3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC(=CC=C2)OC)C)C(=O)O)CNC3CCCCCC3

InChI

InChI=1S/C23H32N2O3/c1-16-21(14-24-19-10-6-4-5-7-11-19)22(23(26)27)17(2)25(16)15-18-9-8-12-20(13-18)28-3/h8-9,12-13,19,24H,4-7,10-11,14-15H2,1-3H3,(H,26,27)