3-(methylaminomethyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]thiophene-2-carboxylic acid

Systemtic Name: 3-(methylaminomethyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]thiophene-2-carboxylic acid Openeye Name: 4-(1-tert-butoxycarbonyl-4-piperidyl)-3-(methylaminomethyl)thiophene-2-carboxylic acid CAS Name: 3-(methylaminomethyl)-4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-2-thiophenecarboxylic acid IUPAC Name: 3-(methylaminomethyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]thiophene-2-carboxylic acid Traditional Name: 4-(1-tert-butoxycarbonyl-4-piperidyl)-3-(methylaminomethyl)-2-thenoic acid Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CSC(=C2CNC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CSC(=C2CNC)C(=O)O

InChI

InChI=1S/C17H26N2O4S/c1-17(2,3)23-16(22)19-7-5-11(6-8-19)13-10-24-14(15(20)21)12(13)9-18-4/h10-11,18H,5-9H2,1-4H3,(H,20,21)