1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(furan-2-yl)-2-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(furan-2-yl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-furyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-furanyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(furan-2-yl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 4-(2-furyl)-1-homoveratryl-2-methyl-pyrrole-3-carboxylic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN1CCC2=CC(=C(C=C2)OC)OC)C3=CC=CO3)C(=O)O

Isomeric SMILES

CC1=C(C(=CN1CCC2=CC(=C(C=C2)OC)OC)C3=CC=CO3)C(=O)O

InChI

InChI=1S/C20H21NO5/c1-13-19(20(22)23)15(16-5-4-10-26-16)12-21(13)9-8-14-6-7-17(24-2)18(11-14)25-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,23)