tert-butyl (NE)-N-[[7-[(1-ethanoylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate

Systemtic Name: tert-butyl (NE)-N-[[7-[(1-ethanoylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[[7-[(1-acetyl-4-piperidyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(tert-butoxycarbonylamino)methylene]carbamate CAS Name: (NE)-N-[[7-[(1-acetyl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[[7-[(1-acetylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Traditional Name: (NE)-N-[[7-[(1-acetyl-4-piperidyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(tert-butoxycarbonylamino)methylene]carbamic acid tert-butyl ester Formula: C28H42N4O6 MolecularWeight: 530.65628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)COC2=CC3=C(CCN(C3)C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C=C2

Isomeric SMILES

CC(=O)N1CCC(CC1)COC2=CC3=C(CCN(C3)/C(=N/C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)C=C2

InChI

InChI=1S/C28H42N4O6/c1-19(33)31-13-10-20(11-14-31)18-36-23-9-8-21-12-15-32(17-22(21)16-23)24(29-25(34)37-27(2,3)4)30-26(35)38-28(5,6)7/h8-9,16,20H,10-15,17-18H2,1-7H3,(H,29,30,34,35)