3-(1-hexyl-5-methyl-3,4-diphenyl-pyrrol-2-yl)propanoic acid

Systemtic Name: 3-(1-hexyl-5-methyl-3,4-diphenyl-pyrrol-2-yl)propanoic acid Openeye Name: 3-(1-hexyl-5-methyl-3,4-diphenyl-pyrrol-2-yl)propanoic acid CAS Name: 3-(1-hexyl-5-methyl-3,4-diphenyl-2-pyrrolyl)propanoic acid IUPAC Name: 3-(1-hexyl-5-methyl-3,4-diphenylpyrrol-2-yl)propanoic acid Traditional Name: 3-(1-hexyl-5-methyl-3,4-diphenyl-pyrrol-2-yl)propionic acid Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C(=C1CCC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCCN1C(=C(C(=C1CCC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C26H31NO2/c1-3-4-5-12-19-27-20(2)25(21-13-8-6-9-14-21)26(22-15-10-7-11-16-22)23(27)17-18-24(28)29/h6-11,13-16H,3-5,12,17-19H2,1-2H3,(H,28,29)