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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[[(1-methyl-3-phenyl-propyl)amino]methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 1-m-anisyl-2,5-dimethyl-4-[[(1-methyl-3-phenyl-propyl)amino]methyl]pyrrole-3-carboxylic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC(=CC=C2)OC)C)C(=O)O)CNC(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC(=CC=C2)OC)C)C(=O)O)CNC(C)CCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O3/c1-18(13-14-21-9-6-5-7-10-21)27-16-24-19(2)28(20(3)25(24)26(29)30)17-22-11-8-12-23(15-22)31-4/h5-12,15,18,27H,13-14,16-17H2,1-4H3,(H,29,30)