tert-butyl 2-[7-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[7-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[7-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[7-(4-amidinobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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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(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-23(2,3)30-20(27)13-26-11-10-16-8-9-18(12-19(16)22(26)28)29-14-15-4-6-17(7-5-15)21(24)25/h4-9,12H,10-11,13-14H2,1-3H3,(H3,24,25)