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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

COC1=CC=CC=C1COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

InChI

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