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

Systemtic Name: 5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-5-[3-(4-octylphenoxy)-2-oxo-propoxy]indole-2-carboxylic acid CAS Name: 5-[3-(4-octylphenoxy)-2-oxopropoxy]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-5-[3-(4-octylphenoxy)-2-oxopropoxy]indole-2-carboxylic acid Traditional Name: 1-benzyl-5-[2-keto-3-(4-octylphenoxy)propoxy]indole-2-carboxylic acid Formula: C33H37NO5 MolecularWeight: 527.65058

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C33H37NO5/c1-2-3-4-5-6-8-11-25-14-16-29(17-15-25)38-23-28(35)24-39-30-18-19-31-27(20-30)21-32(33(36)37)34(31)22-26-12-9-7-10-13-26/h7,9-10,12-21H,2-6,8,11,22-24H2,1H3,(H,36,37)