2-(carboxymethyl)-1-(4-octoxyphenyl)-5-(4-propan-2-yloxyphenoxy)indole-3-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-1-(4-octoxyphenyl)-5-(4-propan-2-yloxyphenoxy)indole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-5-(4-isopropoxyphenoxy)-1-(4-octoxyphenyl)indole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-1-(4-octoxyphenyl)-5-(4-propan-2-yloxyphenoxy)-3-indolecarboxylic acid IUPAC Name: 2-(carboxymethyl)-1-(4-octoxyphenyl)-5-(4-propan-2-yloxyphenoxy)indole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-5-(4-isopropoxyphenoxy)-1-(4-octoxyphenyl)indole-3-carboxylic acid Formula: C34H39NO7 MolecularWeight: 573.67596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2C3=C(C=C(C=C3)OC4=CC=C(C=C4)OC(C)C)C(=C2CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2C3=C(C=C(C=C3)OC4=CC=C(C=C4)OC(C)C)C(=C2CC(=O)O)C(=O)O

InChI

InChI=1S/C34H39NO7/c1-4-5-6-7-8-9-20-40-25-12-10-24(11-13-25)35-30-19-18-28(42-27-16-14-26(15-17-27)41-23(2)3)21-29(30)33(34(38)39)31(35)22-32(36)37/h10-19,21,23H,4-9,20,22H2,1-3H3,(H,36,37)(H,38,39)