3-methoxycarbonyl-1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-5-carboxylic acid

Systemtic Name: 3-methoxycarbonyl-1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-5-carboxylic acid Openeye Name: 3-methoxycarbonyl-1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-5-carboxylic acid CAS Name: 3-methoxycarbonyl-1-[3-(4-octylphenoxy)-2-oxopropyl]-5-indolecarboxylic acid IUPAC Name: 3-methoxycarbonyl-1-[3-(4-octylphenoxy)-2-oxopropyl]indole-5-carboxylic acid Traditional Name: 3-carbomethoxy-1-[2-keto-3-(4-octylphenoxy)propyl]indole-5-carboxylic acid Formula: C28H33NO6 MolecularWeight: 479.56472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=C(C3=C2C=CC(=C3)C(=O)O)C(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=C(C3=C2C=CC(=C3)C(=O)O)C(=O)OC

InChI

InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)