4-[2-[3-cyano-4-(2-hydroxyphenyl)pyrrol-1-yl]-2-(methoxymethoxy)ethyl]benzoic acid

Systemtic Name: 4-[2-[3-cyano-4-(2-hydroxyphenyl)pyrrol-1-yl]-2-(methoxymethoxy)ethyl]benzoic acid Openeye Name: 4-[2-[3-cyano-4-(2-hydroxyphenyl)pyrrol-1-yl]-2-(methoxymethoxy)ethyl]benzoic acid CAS Name: 4-[2-[3-cyano-4-(2-hydroxyphenyl)-1-pyrrolyl]-2-(methoxymethoxy)ethyl]benzoic acid IUPAC Name: 4-[2-[3-cyano-4-(2-hydroxyphenyl)pyrrol-1-yl]-2-(methoxymethoxy)ethyl]benzoic acid Traditional Name: 4-[2-[3-cyano-4-(2-hydroxyphenyl)pyrrol-1-yl]-2-(methoxymethoxy)ethyl]benzoic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

COCOC(CC1=CC=C(C=C1)C(=O)O)N2C=C(C(=C2)C3=CC=CC=C3O)C#N

Isomeric SMILES

COCOC(CC1=CC=C(C=C1)C(=O)O)N2C=C(C(=C2)C3=CC=CC=C3O)C#N

InChI

InChI=1S/C22H20N2O5/c1-28-14-29-21(10-15-6-8-16(9-7-15)22(26)27)24-12-17(11-23)19(13-24)18-4-2-3-5-20(18)25/h2-9,12-13,21,25H,10,14H2,1H3,(H,26,27)