ethyl 2-[7-[(4-carbamimidoylphenyl)carbonylamino]isoquinolin-3-yl]ethanoate

Systemtic Name: ethyl 2-[7-[(4-carbamimidoylphenyl)carbonylamino]isoquinolin-3-yl]ethanoate Openeye Name: ethyl 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-isoquinolyl]acetate CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-isoquinolinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(4-carbamimidoylbenzoyl)amino]isoquinolin-3-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-3-isoquinolyl]acetic acid ethyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC=C2C=C(C=CC2=C1)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC1=NC=C2C=C(C=CC2=C1)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H20N4O3/c1-2-28-19(26)11-18-9-15-7-8-17(10-16(15)12-24-18)25-21(27)14-5-3-13(4-6-14)20(22)23/h3-10,12H,2,11H2,1H3,(H3,22,23)(H,25,27)