ethyl 2-[4-(diphenylmethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propanoyl-piperidin-3-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[4-(diphenylmethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propanoyl-piperidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[[4-benzhydryl-2-(tert-butoxycarbonylamino)-1-propanoyl-3-piperidyl]sulfanyl]pyridine-3-carboxylate CAS Name: 2-[[4-(diphenylmethyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(1-oxopropyl)-3-piperidinyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-benzhydryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propanoylpiperidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[4-benzhydryl-2-(tert-butoxycarbonylamino)-1-propionyl-3-piperidyl]thio]nicotinic acid ethyl ester Formula: C34H41N3O5S MolecularWeight: 603.77144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(C(C1NC(=O)OC(C)(C)C)SC2=C(C=CC=N2)C(=O)OCC)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCC(C(C1NC(=O)OC(C)(C)C)SC2=C(C=CC=N2)C(=O)OCC)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C34H41N3O5S/c1-6-27(38)37-22-20-25(28(23-15-10-8-11-16-23)24-17-12-9-13-18-24)29(30(37)36-33(40)42-34(3,4)5)43-31-26(19-14-21-35-31)32(39)41-7-2/h8-19,21,25,28-30H,6-7,20,22H2,1-5H3,(H,36,40)