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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(CCN(C2)CC(=O)O)C=C1)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C1=CC2=C(CCN(C2)CC(=O)O)C=C1)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

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