3-(1,3-benzodioxol-5-yl)-1-[(4-carboxynaphthalen-1-yl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-carboxynaphthalen-1-yl)methyl]indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-carboxy-1-naphthyl)methyl]indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-carboxy-1-naphthalenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-carboxynaphthalen-1-yl)methyl]indole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-carboxy-1-naphthyl)methyl]indole-2-carboxylic acid Formula: C28H19NO6 MolecularWeight: 465.45356

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(N(C4=CC=CC=C43)CC5=CC=C(C6=CC=CC=C56)C(=O)O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(N(C4=CC=CC=C43)CC5=CC=C(C6=CC=CC=C56)C(=O)O)C(=O)O

InChI

InChI=1S/C28H19NO6/c30-27(31)20-11-9-17(18-5-1-2-6-19(18)20)14-29-22-8-4-3-7-21(22)25(26(29)28(32)33)16-10-12-23-24(13-16)35-15-34-23/h1-13H,14-15H2,(H,30,31)(H,32,33)