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

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCN1CC(=O)O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1C2=C(CCN1CC(=O)O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N4O3/c1-12-17-10-16(7-6-13(17)8-9-24(12)11-18(25)26)23-20(27)15-4-2-14(3-5-15)19(21)22/h2-7,10,12H,8-9,11H2,1H3,(H3,21,22)(H,23,27)(H,25,26)