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

Systemtic Name: ethyl 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: ethyl 2-[7-[(4-carbamimidoylbenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(4-carbamimidoylbenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CN1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N4O3/c1-2-28-19(26)13-25-10-9-14-7-8-18(11-17(14)12-25)24-21(27)16-5-3-15(4-6-16)20(22)23/h3-8,11H,2,9-10,12-13H2,1H3,(H3,22,23)(H,24,27)