4-(2-methyl-1-phenethyl-5-phenyl-pyrrol-3-yl)benzoic acid

Systemtic Name: 4-(2-methyl-1-phenethyl-5-phenyl-pyrrol-3-yl)benzoic acid Openeye Name: 4-(2-methyl-1-phenethyl-5-phenyl-pyrrol-3-yl)benzoic acid CAS Name: 4-(2-methyl-1-phenethyl-5-phenyl-3-pyrrolyl)benzoic acid IUPAC Name: 4-(2-methyl-1-phenethyl-5-phenylpyrrol-3-yl)benzoic acid Traditional Name: 4-(2-methyl-1-phenethyl-5-phenyl-pyrrol-3-yl)benzoic acid Formula: C26H23NO2 MolecularWeight: 381.46632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H23NO2/c1-19-24(21-12-14-23(15-13-21)26(28)29)18-25(22-10-6-3-7-11-22)27(19)17-16-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3,(H,28,29)