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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C34H39NO4/c1-3-4-5-9-24-38-30-17-13-27(14-18-30)22-23-35-26(2)12-21-32(35)29-15-19-31(20-16-29)39-33(34(36)37)25-28-10-7-6-8-11-28/h6-8,10-21,33H,3-5,9,22-25H2,1-2H3,(H,36,37)/p-1