2-[7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[7-(1-tert-butoxycarbonyl-4-piperidyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[7-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[7-(1-tert-butoxycarbonyl-4-piperidyl)-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC3=C(CCN(C3=O)CC(=O)O)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC3=C(CCN(C3=O)CC(=O)O)C=C2

InChI

InChI=1S/C21H28N2O5/c1-21(2,3)28-20(27)22-9-6-14(7-10-22)16-5-4-15-8-11-23(13-18(24)25)19(26)17(15)12-16/h4-5,12,14H,6-11,13H2,1-3H3,(H,24,25)