tert-butyl 2-[7-[[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-[[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[7-[[4-[(Z)-N'-tert-butoxycarbonylcarbamimidoyl]phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[7-[[4-[(Z)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-[[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[7-[4-[(Z)-N'-tert-butoxycarbonylamidino]benzyl]oxy-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=C(C=C2)OCC3=CC=C(C=C3)C(=NC(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=C(C=C2)OCC3=CC=C(C=C3)/C(=N/C(=O)OC(C)(C)C)/N

InChI

InChI=1S/C28H35N3O6/c1-27(2,3)36-23(32)16-31-14-13-19-11-12-21(15-22(19)25(31)33)35-17-18-7-9-20(10-8-18)24(29)30-26(34)37-28(4,5)6/h7-12,15H,13-14,16-17H2,1-6H3,(H2,29,30,34)