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

Systemtic Name: 4-[(cyclopentylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[(cyclopentylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[(cyclopentylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 4-[(cyclopentylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[(cyclopentylamino)methyl]-1-m-anisyl-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC(=CC=C2)OC)C)C(=O)O)CNC3CCCC3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC(=CC=C2)OC)C)C(=O)O)CNC3CCCC3

InChI

InChI=1S/C21H28N2O3/c1-14-19(12-22-17-8-4-5-9-17)20(21(24)25)15(2)23(14)13-16-7-6-10-18(11-16)26-3/h6-7,10-11,17,22H,4-5,8-9,12-13H2,1-3H3,(H,24,25)