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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(phenethylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(phenethylamino)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(phenethylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(phenethylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 1-m-anisyl-2,5-dimethyl-4-[(phenethylamino)methyl]pyrrole-3-carboxylic acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC(=CC=C2)OC)C)C(=O)O)CNCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC(=CC=C2)OC)C)C(=O)O)CNCCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O3/c1-17-22(15-25-13-12-19-8-5-4-6-9-19)23(24(27)28)18(2)26(17)16-20-10-7-11-21(14-20)29-3/h4-11,14,25H,12-13,15-16H2,1-3H3,(H,27,28)