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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C38H47NO4/c1-3-4-5-6-7-8-10-14-31-18-22-34(23-19-31)42-28-13-27-39-30(2)17-26-36(39)33-20-24-35(25-21-33)43-37(38(40)41)29-32-15-11-9-12-16-32/h9,11-12,15-26,37H,3-8,10,13-14,27-29H2,1-2H3,(H,40,41)/p-1