2-[4-(1-dodecyl-5-methyl-pyrrol-2-yl)phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-(1-dodecyl-5-methyl-pyrrol-2-yl)phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-(1-dodecyl-5-methyl-pyrrol-2-yl)phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-(1-dodecyl-5-methyl-2-pyrrolyl)phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-(1-dodecyl-5-methylpyrrol-2-yl)phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-(1-lauryl-5-methyl-pyrrol-2-yl)phenoxy]-3-phenyl-propionic acid Formula: C32H43NO3 MolecularWeight: 489.68872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OC(CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OC(CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C32H43NO3/c1-3-4-5-6-7-8-9-10-11-15-24-33-26(2)18-23-30(33)28-19-21-29(22-20-28)36-31(32(34)35)25-27-16-13-12-14-17-27/h12-14,16-23,31H,3-11,15,24-25H2,1-2H3,(H,34,35)