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

Systemtic Name: 3-(3-aminophenyl)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 3-(3-aminophenyl)-5-benzyloxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid CAS Name: 3-(3-aminophenyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 3-(3-aminophenyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 3-(3-aminophenyl)-5-benzoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Formula: C30H23ClN2O5 MolecularWeight: 526.96702

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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)C6=CC(=CC=C6)N)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C4=C(C=C(C=C4)OCC5=CC=CC=C5)C(=C3C(=O)O)C6=CC(=CC=C6)N)Cl

InChI

InChI=1S/C30H23ClN2O5/c31-24-14-27-26(37-17-38-27)12-20(24)15-33-25-10-9-22(36-16-18-5-2-1-3-6-18)13-23(25)28(29(33)30(34)35)19-7-4-8-21(32)11-19/h1-14H,15-17,32H2,(H,34,35)