3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-p-anisyl-indole-2-carboxylic acid Formula: C24H19NO5 MolecularWeight: 401.41136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H19NO5/c1-28-17-9-6-15(7-10-17)13-25-19-5-3-2-4-18(19)22(23(25)24(26)27)16-8-11-20-21(12-16)30-14-29-20/h2-12H,13-14H2,1H3,(H,26,27)