1-[(4-carboxyphenyl)methyl]-5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]indole-2-carboxylic acid

Systemtic Name: 1-[(4-carboxyphenyl)methyl]-5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]indole-2-carboxylic acid Openeye Name: 1-[(4-carboxyphenyl)methyl]-5-[3-(4-octylphenoxy)-2-oxo-propoxy]indole-2-carboxylic acid CAS Name: 1-[(4-carboxyphenyl)methyl]-5-[3-(4-octylphenoxy)-2-oxopropoxy]-2-indolecarboxylic acid IUPAC Name: 1-[(4-carboxyphenyl)methyl]-5-[3-(4-octylphenoxy)-2-oxopropoxy]indole-2-carboxylic acid Traditional Name: 1-(4-carboxybenzyl)-5-[2-keto-3-(4-octylphenoxy)propoxy]indole-2-carboxylic acid Formula: C34H37NO7 MolecularWeight: 571.66008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C34H37NO7/c1-2-3-4-5-6-7-8-24-11-15-29(16-12-24)41-22-28(36)23-42-30-17-18-31-27(19-30)20-32(34(39)40)35(31)21-25-9-13-26(14-10-25)33(37)38/h9-20H,2-8,21-23H2,1H3,(H,37,38)(H,39,40)