2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1-benzothiophene-6-carboxylic acid

Systemtic Name: 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1-benzothiophene-6-carboxylic acid Openeye Name: 2-[2-(1-tert-butoxycarbonyl-4-piperidyl)ethyl]benzothiophene-6-carboxylic acid CAS Name: 2-[2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]ethyl]-1-benzothiophene-6-carboxylic acid IUPAC Name: 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1-benzothiophene-6-carboxylic acid Traditional Name: 2-[2-(1-tert-butoxycarbonyl-4-piperidyl)ethyl]benzothiophene-6-carboxylic acid Formula: C21H27NO4S MolecularWeight: 389.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCC2=CC3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCC2=CC3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C21H27NO4S/c1-21(2,3)26-20(25)22-10-8-14(9-11-22)4-7-17-12-15-5-6-16(19(23)24)13-18(15)27-17/h5-6,12-14H,4,7-11H2,1-3H3,(H,23,24)