tert-butyl 2-[7-[4-[bis(azanyl)methylideneamino]butoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-[4-[bis(azanyl)methylideneamino]butoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[7-(4-guanidinobutoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[7-[4-(diaminomethylideneamino)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-[4-(diaminomethylideneamino)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[7-(4-guanidinobutoxy)-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4/c1-20(2,3)28-17(25)13-24-10-8-14-6-7-15(12-16(14)18(24)26)27-11-5-4-9-23-19(21)22/h6-7,12H,4-5,8-11,13H2,1-3H3,(H4,21,22,23)