tert-butyl 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[7-[(4-carbamimidoylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[7-[(4-amidinophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid tert-butyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3/c1-23(2,3)30-20(28)14-27-11-10-15-4-5-17(12-18(15)13-27)22(29)26-19-8-6-16(7-9-19)21(24)25/h4-9,12H,10-11,13-14H2,1-3H3,(H3,24,25)(H,26,29)