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

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-1-isopropyl-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetate IUPAC Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-1-isopropyl-3,4-dihydro-1H-isoquinolin-2-yl]acetate Formula: C22H25N4O3- MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2=C(CCN1CC(=O)[O-])C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)C1C2=C(CCN1CC(=O)[O-])C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H26N4O3/c1-13(2)20-18-11-17(8-7-14(18)9-10-26(20)12-19(27)28)25-22(29)16-5-3-15(4-6-16)21(23)24/h3-8,11,13,20H,9-10,12H2,1-2H3,(H3,23,24)(H,25,29)(H,27,28)/p-1