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

Systemtic Name: 4-[2-[3-cyano-4-(2-phenylmethoxyphenyl)pyrrol-1-yl]-2-(methoxymethoxy)ethyl]benzoic acid Openeye Name: 4-[2-[3-(2-benzyloxyphenyl)-4-cyano-pyrrol-1-yl]-2-(methoxymethoxy)ethyl]benzoic acid CAS Name: 4-[2-[3-cyano-4-(2-phenylmethoxyphenyl)-1-pyrrolyl]-2-(methoxymethoxy)ethyl]benzoic acid IUPAC Name: 4-[2-[3-cyano-4-(2-phenylmethoxyphenyl)pyrrol-1-yl]-2-(methoxymethoxy)ethyl]benzoic acid Traditional Name: 4-[2-[3-(2-benzoxyphenyl)-4-cyano-pyrrol-1-yl]-2-(methoxymethoxy)ethyl]benzoic acid Formula: C29H26N2O5 MolecularWeight: 482.52714

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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=C3OCC4=CC=CC=C4)C#N

Isomeric SMILES

COCOC(CC1=CC=C(C=C1)C(=O)O)N2C=C(C(=C2)C3=CC=CC=C3OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C29H26N2O5/c1-34-20-36-28(15-21-11-13-23(14-12-21)29(32)33)31-17-24(16-30)26(18-31)25-9-5-6-10-27(25)35-19-22-7-3-2-4-8-22/h2-14,17-18,28H,15,19-20H2,1H3,(H,32,33)