3-[(2-carboxy-1H-indol-3-yl)-(3-ethoxy-4-oxidanyl-phenyl)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(2-carboxy-1H-indol-3-yl)-(3-ethoxy-4-oxidanyl-phenyl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(2-carboxy-1H-indol-3-yl)-(3-ethoxy-4-hydroxy-phenyl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(2-carboxy-1H-indol-3-yl)-(3-ethoxy-4-hydroxyphenyl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(2-carboxy-1H-indol-3-yl)-(3-ethoxy-4-hydroxyphenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(2-carboxy-1H-indol-3-yl)-(3-ethoxy-4-hydroxy-phenyl)methyl]-1H-indole-2-carboxylic acid Formula: C27H22N2O6 MolecularWeight: 470.47338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O)O

InChI

InChI=1S/C27H22N2O6/c1-2-35-20-13-14(11-12-19(20)30)21(22-15-7-3-5-9-17(15)28-24(22)26(31)32)23-16-8-4-6-10-18(16)29-25(23)27(33)34/h3-13,21,28-30H,2H2,1H3,(H,31,32)(H,33,34)