2-[4-[5-methyl-1-(4-octoxyphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate

Systemtic Name: 2-[4-[5-methyl-1-(4-octoxyphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[5-methyl-1-(4-octoxyphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[5-methyl-1-(4-octoxyphenyl)-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[5-methyl-1-(4-octoxyphenyl)pyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[5-methyl-1-(4-octoxyphenyl)pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C34H38NO4- MolecularWeight: 524.66982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C34H39NO4/c1-3-4-5-6-7-11-24-38-30-21-17-29(18-22-30)35-26(2)14-23-32(35)28-15-19-31(20-16-28)39-33(34(36)37)25-27-12-9-8-10-13-27/h8-10,12-23,33H,3-7,11,24-25H2,1-2H3,(H,36,37)/p-1