2-[4-[1-(4-methylphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate

Systemtic Name: 2-[4-[1-(4-methylphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 3-phenyl-2-[4-[1-(p-tolyl)pyrrol-2-yl]phenoxy]propanoate CAS Name: 2-[4-[1-(4-methylphenyl)-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-(4-methylphenyl)pyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 3-phenyl-2-[4-[1-(p-tolyl)pyrrol-2-yl]phenoxy]propionate Formula: C26H22NO3- MolecularWeight: 396.45778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C26H23NO3/c1-19-9-13-22(14-10-19)27-17-5-8-24(27)21-11-15-23(16-12-21)30-25(26(28)29)18-20-6-3-2-4-7-20/h2-17,25H,18H2,1H3,(H,28,29)/p-1