ethyl 2-[6-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]ethanoate

Systemtic Name: ethyl 2-[6-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanylidene-isoquinolin-2-yl]ethanoate Openeye Name: ethyl 2-[6-[(4-carbamimidoylbenzoyl)amino]-1-oxo-2-isoquinolyl]acetate CAS Name: 2-[6-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxo-2-isoquinolinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[(4-carbamimidoylbenzoyl)amino]-1-oxoisoquinolin-2-yl]acetate Traditional Name: 2-[6-[(4-amidinobenzoyl)amino]-1-keto-2-isoquinolyl]acetic acid ethyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=CC2=C(C1=O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CN1C=CC2=C(C1=O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H20N4O4/c1-2-29-18(26)12-25-10-9-15-11-16(7-8-17(15)21(25)28)24-20(27)14-5-3-13(4-6-14)19(22)23/h3-11H,2,12H2,1H3,(H3,22,23)(H,24,27)