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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 5-benzyloxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 5-benzoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Formula: C24H18ClNO5 MolecularWeight: 435.85642

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C4=C(C=C(C=C4)OCC5=CC=CC=C5)C=C3C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C4=C(C=C(C=C4)OCC5=CC=CC=C5)C=C3C(=O)O)Cl

InChI

InChI=1S/C24H18ClNO5/c25-19-11-23-22(30-14-31-23)10-17(19)12-26-20-7-6-18(8-16(20)9-21(26)24(27)28)29-13-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,27,28)