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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(pyridin-3-ylmethylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(3-pyridylmethylamino)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(3-pyridinylmethylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(pyridin-3-ylmethylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 1-m-anisyl-2,5-dimethyl-4-[(3-pyridylmethylamino)methyl]pyrrole-3-carboxylic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC(=CC=C2)OC)C)C(=O)O)CNCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC(=CC=C2)OC)C)C(=O)O)CNCC3=CN=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-15-20(13-24-12-18-7-5-9-23-11-18)21(22(26)27)16(2)25(15)14-17-6-4-8-19(10-17)28-3/h4-11,24H,12-14H2,1-3H3,(H,26,27)