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

Systemtic Name: tert-butyl 2-[6-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[4-[bis(tert-butoxycarbonylamino)methyleneamino]butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[4-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]butoxy]-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]butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[6-[4-[bis(tert-butoxycarbonylamino)methyleneamino]butoxy]-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C30H46N4O8 MolecularWeight: 590.70824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCCCCN=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)OCCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H46N4O8/c1-28(2,3)40-23(35)19-34-16-14-20-18-21(12-13-22(20)24(34)36)39-17-11-10-15-31-25(32-26(37)41-29(4,5)6)33-27(38)42-30(7,8)9/h12-13,18H,10-11,14-17,19H2,1-9H3,(H2,31,32,33,37,38)