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

Systemtic Name: 2-[4-(5-methyl-1-tridecyl-pyrrol-2-yl)phenoxy]-3-phenyl-propanoate Openeye Name: 2-[4-(5-methyl-1-tridecyl-pyrrol-2-yl)phenoxy]-3-phenyl-propanoate CAS Name: 2-[4-(5-methyl-1-tridecyl-2-pyrrolyl)phenoxy]-3-phenylpropanoate IUPAC Name: 2-[4-(5-methyl-1-tridecylpyrrol-2-yl)phenoxy]-3-phenylpropanoate Traditional Name: 2-[4-(5-methyl-1-tridecyl-pyrrol-2-yl)phenoxy]-3-phenyl-propionate Formula: C33H44NO3- MolecularWeight: 502.70736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OC(CC3=CC=CC=C3)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OC(CC3=CC=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C33H45NO3/c1-3-4-5-6-7-8-9-10-11-12-16-25-34-27(2)19-24-31(34)29-20-22-30(23-21-29)37-32(33(35)36)26-28-17-14-13-15-18-28/h13-15,17-24,32H,3-12,16,25-26H2,1-2H3,(H,35,36)/p-1