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

Systemtic Name: 2-[4-[1-[2-(4-dodecoxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-[2-(4-dodecoxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-[2-(4-dodecoxyphenyl)ethyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-[2-(4-dodecoxyphenyl)ethyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-[2-(4-lauryloxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C40H50NO4- MolecularWeight: 608.8293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C40H51NO4/c1-3-4-5-6-7-8-9-10-11-15-30-44-36-23-19-33(20-24-36)28-29-41-32(2)18-27-38(41)35-21-25-37(26-22-35)45-39(40(42)43)31-34-16-13-12-14-17-34/h12-14,16-27,39H,3-11,15,28-31H2,1-2H3,(H,42,43)/p-1