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

Systemtic Name: 4-[(furan-2-ylmethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[(2-furylmethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[(2-furanylmethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 4-[(furan-2-ylmethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[(2-furfurylamino)methyl]-1-m-anisyl-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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)CNCC3=CC=CO3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC(=CC=C2)OC)C)C(=O)O)CNCC3=CC=CO3

InChI

InChI=1S/C21H24N2O4/c1-14-19(12-22-11-18-8-5-9-27-18)20(21(24)25)15(2)23(14)13-16-6-4-7-17(10-16)26-3/h4-10,22H,11-13H2,1-3H3,(H,24,25)