1-[4-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(1-hydroxyethyl)-3-methyl-pyrrolidin-1-yl]-2-methyl-1-(1,3-thiazol-4-yl)hexadecan-3-one

Systemtic Name: 1-[4-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(1-hydroxyethyl)-3-methyl-pyrrolidin-1-yl]-2-methyl-1-(1,3-thiazol-4-yl)hexadecan-3-one Openeye Name: 1-[4-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(1-hydroxyethyl)-3-methyl-pyrrolidin-1-yl]-2-methyl-1-thiazol-4-yl-hexadecan-3-one CAS Name: 1-[4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-3-methyl-1-pyrrolidinyl]-2-methyl-1-(4-thiazolyl)-3-hexadecanone IUPAC Name: 1-[4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1-(1,3-thiazol-4-yl)hexadecan-3-one Traditional Name: 1-[4-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(1-hydroxyethyl)-3-methyl-pyrrolidino]-2-methyl-1-thiazol-4-yl-hexadecan-3-one Formula: C39H62N2O4S MolecularWeight: 654.98558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(C)C(C1=CSC=N1)N2CC(C(C2)(C)C(C)O)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(C)C(C1=CSC=N1)N2CC(C(C2)(C)C(C)O)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C39H62N2O4S/c1-6-7-8-9-10-11-12-13-14-15-16-21-35(43)29(2)38(34-26-46-28-40-34)41-25-33(39(4,27-41)30(3)42)31-22-23-36(44-5)37(24-31)45-32-19-17-18-20-32/h22-24,26,28-30,32-33,38,42H,6-21,25,27H2,1-5H3