(1-phenyl-2-piperidin-1-yl-ethyl) 5-ethanoyl-2,6-dimethyl-4-thiophen-2-yl-pyridine-3-carboxylate

Systemtic Name: (1-phenyl-2-piperidin-1-yl-ethyl) 5-ethanoyl-2,6-dimethyl-4-thiophen-2-yl-pyridine-3-carboxylate Openeye Name: [1-phenyl-2-(1-piperidyl)ethyl] 5-acetyl-2,6-dimethyl-4-(2-thienyl)pyridine-3-carboxylate CAS Name: 5-acetyl-2,6-dimethyl-4-thiophen-2-yl-3-pyridinecarboxylic acid [1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (1-phenyl-2-piperidin-1-ylethyl) 5-acetyl-2,6-dimethyl-4-thiophen-2-ylpyridine-3-carboxylate Traditional Name: 5-acetyl-2,6-dimethyl-4-(2-thienyl)nicotinic acid (1-phenyl-2-piperidino-ethyl) ester Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)C)C2=CC=CS2)C(=O)OC(CN3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)C)C2=CC=CS2)C(=O)OC(CN3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c1-18-24(20(3)30)26(23-13-10-16-33-23)25(19(2)28-18)27(31)32-22(21-11-6-4-7-12-21)17-29-14-8-5-9-15-29/h4,6-7,10-13,16,22H,5,8-9,14-15,17H2,1-3H3