tert-butyl 2-[6-[[4-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]phenyl]methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[[4-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]phenyl]methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[[4-[[bis(tert-butoxycarbonylamino)methyleneamino]methyl]phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[[4-[[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]methyl]phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[[4-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[6-[4-[[bis(tert-butoxycarbonylamino)methyleneamino]methyl]benzyl]oxy-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C34H46N4O8 MolecularWeight: 638.75104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H46N4O8/c1-32(2,3)44-27(39)20-38-17-16-24-18-25(14-15-26(24)28(38)40)43-21-23-12-10-22(11-13-23)19-35-29(36-30(41)45-33(4,5)6)37-31(42)46-34(7,8)9/h10-15,18H,16-17,19-21H2,1-9H3,(H2,35,36,37,41,42)