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

Systemtic Name: 2-[4-[1-[2-(4-decoxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-[2-(4-decoxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-[2-(4-decoxyphenyl)ethyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-[2-(4-decoxyphenyl)ethyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-[2-(4-decoxyphenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C38H46NO4- MolecularWeight: 580.77614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)CCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C38H47NO4/c1-3-4-5-6-7-8-9-13-28-42-34-21-17-31(18-22-34)26-27-39-30(2)16-25-36(39)33-19-23-35(24-20-33)43-37(38(40)41)29-32-14-11-10-12-15-32/h10-12,14-25,37H,3-9,13,26-29H2,1-2H3,(H,40,41)/p-1