1-[(6-chloranyl-3H-1,2-benzodioxol-5-yl)methyl]-5-[(3-methoxyphenyl)methoxy]indole-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-3H-1,2-benzodioxol-5-yl)methyl]-5-[(3-methoxyphenyl)methoxy]indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-[(3-methoxyphenyl)methoxy]indole-2-carboxylic acid CAS Name: 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-[(3-methoxyphenyl)methoxy]-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-[(3-methoxyphenyl)methoxy]indole-2-carboxylic acid Traditional Name: 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-m-anisyloxy-indole-2-carboxylic acid Formula: C25H20ClNO6 MolecularWeight: 465.8824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=C(C=C5C(=C4)COO5)Cl

Isomeric SMILES

COC1=CC=CC(=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=C(C=C5C(=C4)COO5)Cl

InChI

InChI=1S/C25H20ClNO6/c1-30-19-4-2-3-15(7-19)13-31-20-5-6-22-16(9-20)10-23(25(28)29)27(22)12-17-8-18-14-32-33-24(18)11-21(17)26/h2-11H,12-14H2,1H3,(H,28,29)