ethyl 1-[(2-benzamido-5-ethyl-thiophen-3-yl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-benzamido-5-ethyl-thiophen-3-yl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-benzamido-5-ethyl-3-thienyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2-benzamido-5-ethyl-3-thiophenyl)-(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-benzamido-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(2-benzamido-5-ethyl-3-thienyl)-(4-methoxyphenyl)methyl]isonipecotic acid ethyl ester Formula: C29H34N2O4S MolecularWeight: 506.65626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C29H34N2O4S/c1-4-24-19-25(28(36-24)30-27(32)21-9-7-6-8-10-21)26(20-11-13-23(34-3)14-12-20)31-17-15-22(16-18-31)29(33)35-5-2/h6-14,19,22,26H,4-5,15-18H2,1-3H3,(H,30,32)