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

Systemtic Name: 5-[(3-carboxyphenyl)methoxy]-1-[(6-chloranyl-3H-1,2-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Openeye Name: 5-[(3-carboxyphenyl)methoxy]-1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]indole-2-carboxylic acid CAS Name: 5-[(3-carboxyphenyl)methoxy]-1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-[(3-carboxyphenyl)methoxy]-1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Traditional Name: 5-(3-carboxybenzyl)oxy-1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Formula: C25H18ClNO7 MolecularWeight: 479.86592

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2OO1)Cl)CN3C4=C(C=C(C=C4)OCC5=CC=CC(=C5)C(=O)O)C=C3C(=O)O

Isomeric SMILES

C1C2=CC(=C(C=C2OO1)Cl)CN3C4=C(C=C(C=C4)OCC5=CC=CC(=C5)C(=O)O)C=C3C(=O)O

InChI

InChI=1S/C25H18ClNO7/c26-20-10-23-18(13-33-34-23)7-17(20)11-27-21-5-4-19(8-16(21)9-22(27)25(30)31)32-12-14-2-1-3-15(6-14)24(28)29/h1-10H,11-13H2,(H,28,29)(H,30,31)