2-[1-butan-2-yl-7-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[1-butan-2-yl-7-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-1-sec-butyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[1-butan-2-yl-7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-butan-2-yl-7-[(4-carbamimidoylbenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-1-sec-butyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C2=C(CCN1CC(=O)O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC(C)C1C2=C(CCN1CC(=O)O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H28N4O3/c1-3-14(2)21-19-12-18(9-8-15(19)10-11-27(21)13-20(28)29)26-23(30)17-6-4-16(5-7-17)22(24)25/h4-9,12,14,21H,3,10-11,13H2,1-2H3,(H3,24,25)(H,26,30)(H,28,29)