tert-butyl 2-[methyl-[2-[(1-oxidanylidene-2H-isoquinolin-3-yl)amino]ethyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-[2-[(1-oxidanylidene-2H-isoquinolin-3-yl)amino]ethyl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[2-[(1-oxo-2H-isoquinolin-3-yl)amino]ethyl]amino]acetate CAS Name: 2-[methyl-[2-[(1-oxo-2H-isoquinolin-3-yl)amino]ethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[2-[(1-oxo-2H-isoquinolin-3-yl)amino]ethyl]amino]acetate Traditional Name: 2-[2-[(1-keto-2H-isoquinolin-3-yl)amino]ethyl-methyl-amino]acetic acid tert-butyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)CCNC1=CC2=CC=CC=C2C(=O)N1

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)CCNC1=CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C18H25N3O3/c1-18(2,3)24-16(22)12-21(4)10-9-19-15-11-13-7-5-6-8-14(13)17(23)20-15/h5-8,11H,9-10,12H2,1-4H3,(H2,19,20,23)