4-[1-(2-methoxyethyl)-2-methyl-5-phenyl-pyrrol-3-yl]benzoic acid

Systemtic Name: 4-[1-(2-methoxyethyl)-2-methyl-5-phenyl-pyrrol-3-yl]benzoic acid Openeye Name: 4-[1-(2-methoxyethyl)-2-methyl-5-phenyl-pyrrol-3-yl]benzoic acid CAS Name: 4-[1-(2-methoxyethyl)-2-methyl-5-phenyl-3-pyrrolyl]benzoic acid IUPAC Name: 4-[1-(2-methoxyethyl)-2-methyl-5-phenylpyrrol-3-yl]benzoic acid Traditional Name: 4-[1-(2-methoxyethyl)-2-methyl-5-phenyl-pyrrol-3-yl]benzoic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCOC)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCOC)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21NO3/c1-15-19(16-8-10-18(11-9-16)21(23)24)14-20(22(15)12-13-25-2)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,24)