1-(4,5-dihydro-1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid

Systemtic Name: 1-(4,5-dihydro-1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid Openeye Name: 1-(4,5-dihydro-1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid CAS Name: 1-(4,5-dihydro-1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-indolecarboxylic acid IUPAC Name: 1-(4,5-dihydro-1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid Traditional Name: 1-(4,5-dihydro-1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)indole-2-carboxylic acid Formula: C24H21NO5 MolecularWeight: 403.42724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C24H21NO5/c1-28-17-9-7-16(8-10-17)22-18-4-2-3-5-19(18)25(23(22)24(26)27)13-15-6-11-20-21(12-15)30-14-29-20/h2-11,15H,12-14H2,1H3,(H,26,27)