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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OCCCN2C(=CC=C2C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C34H39NO4/c1-3-4-6-10-27-14-18-30(19-15-27)38-24-9-23-35-26(2)13-22-32(35)29-16-20-31(21-17-29)39-33(34(36)37)25-28-11-7-5-8-12-28/h5,7-8,11-22,33H,3-4,6,9-10,23-25H2,1-2H3,(H,36,37)/p-1