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

Systemtic Name: 2-[4-[1-[3-(4-butylphenoxy)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-[1-[3-(4-butylphenoxy)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-[1-[3-(4-butylphenoxy)propyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-[1-[3-(4-butylphenoxy)propyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-[1-[3-(4-butylphenoxy)propyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionate Formula: C33H36NO4- MolecularWeight: 510.64324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C33H37NO4/c1-3-4-9-26-13-17-29(18-14-26)37-23-8-22-34-25(2)12-21-31(34)28-15-19-30(20-16-28)38-32(33(35)36)24-27-10-6-5-7-11-27/h5-7,10-21,32H,3-4,8-9,22-24H2,1-2H3,(H,35,36)/p-1