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

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]acetate IUPAC Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]acetate Formula: C21H23N4O3- MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1CC(=O)[O-])C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1C2=C(CCN1CC(=O)[O-])C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

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