4-[2-(3-cyano-6-oxidanyl-indol-1-yl)-2-(methoxymethoxy)ethyl]benzoic acid

Systemtic Name: 4-[2-(3-cyano-6-oxidanyl-indol-1-yl)-2-(methoxymethoxy)ethyl]benzoic acid Openeye Name: 4-[2-(3-cyano-6-hydroxy-indol-1-yl)-2-(methoxymethoxy)ethyl]benzoic acid CAS Name: 4-[2-(3-cyano-6-hydroxy-1-indolyl)-2-(methoxymethoxy)ethyl]benzoic acid IUPAC Name: 4-[2-(3-cyano-6-hydroxyindol-1-yl)-2-(methoxymethoxy)ethyl]benzoic acid Traditional Name: 4-[2-(3-cyano-6-hydroxy-indol-1-yl)-2-(methoxymethoxy)ethyl]benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COCOC(CC1=CC=C(C=C1)C(=O)O)N2C=C(C3=C2C=C(C=C3)O)C#N

Isomeric SMILES

COCOC(CC1=CC=C(C=C1)C(=O)O)N2C=C(C3=C2C=C(C=C3)O)C#N

InChI

InChI=1S/C20H18N2O5/c1-26-12-27-19(8-13-2-4-14(5-3-13)20(24)25)22-11-15(10-21)17-7-6-16(23)9-18(17)22/h2-7,9,11,19,23H,8,12H2,1H3,(H,24,25)