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

Systemtic Name: butyl 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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