tert-butyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[(4-carbamimidoylanilino)-oxomethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H26N4O4/c1-23(2,3)31-19(28)13-27-11-10-15-12-16(6-9-18(15)22(27)30)21(29)26-17-7-4-14(5-8-17)20(24)25/h4-9,12H,10-11,13H2,1-3H3,(H3,24,25)(H,26,29)