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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(3-methoxyphenyl)methoxy]indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(3-methoxyphenyl)methoxy]indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(3-methoxyphenyl)methoxy]-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(3-methoxyphenyl)methoxy]indole-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-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=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

InChI

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