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

Systemtic Name: 2-[4-(5-methyl-1-undecyl-pyrrol-2-yl)phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-(5-methyl-1-undecyl-pyrrol-2-yl)phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-(5-methyl-1-undecyl-2-pyrrolyl)phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-(5-methyl-1-undecylpyrrol-2-yl)phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-(5-methyl-1-undecyl-pyrrol-2-yl)phenoxy]-3-phenyl-propionate Formula: C31H40NO3- MolecularWeight: 474.6542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OC(CC3=CC=CC=C3)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OC(CC3=CC=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C31H41NO3/c1-3-4-5-6-7-8-9-10-14-23-32-25(2)17-22-29(32)27-18-20-28(21-19-27)35-30(31(33)34)24-26-15-12-11-13-16-26/h11-13,15-22,30H,3-10,14,23-24H2,1-2H3,(H,33,34)/p-1