ethyl 4-[[4-[1-(2-thiophen-2-ylethanoyl)piperidin-4-yl]piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[1-(2-thiophen-2-ylethanoyl)piperidin-4-yl]piperidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[1-[2-(2-thienyl)acetyl]-4-piperidyl]piperidine-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[4-[1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinyl]-1-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[1-[2-(2-thienyl)acetyl]-4-piperidyl]piperidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC(CC2)C3CCN(CC3)C(=O)CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC(CC2)C3CCN(CC3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C26H33N3O4S/c1-2-33-25(31)21-5-7-22(8-6-21)27-26(32)29-15-11-20(12-16-29)19-9-13-28(14-10-19)24(30)18-23-4-3-17-34-23/h3-8,17,19-20H,2,9-16,18H2,1H3,(H,27,32)