4-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 4-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-4-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-4-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-2,5-dimethyl-4-[(o-veratrylamino)methyl]pyrrole-3-carboxylic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-16-20(14-25-13-19-11-8-12-21(29-3)23(19)30-4)22(24(27)28)17(2)26(16)15-18-9-6-5-7-10-18/h5-12,25H,13-15H2,1-4H3,(H,27,28)