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

Systemtic Name: 2-[4-[5-methyl-1-(phenylmethyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-(1-benzyl-5-methyl-pyrrol-2-yl)phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[5-methyl-1-(phenylmethyl)-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-(1-benzyl-5-methylpyrrol-2-yl)phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-(1-benzyl-5-methyl-pyrrol-2-yl)phenoxy]-3-phenyl-propionic acid Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H25NO3/c1-20-12-17-25(28(20)19-22-10-6-3-7-11-22)23-13-15-24(16-14-23)31-26(27(29)30)18-21-8-4-2-5-9-21/h2-17,26H,18-19H2,1H3,(H,29,30)