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

Systemtic Name: 2-[1-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[1-[(4-carbamimidoylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[1-[(4-amidinophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C19H20N4O3/c20-18(21)13-5-7-14(8-6-13)22-19(26)17-15-4-2-1-3-12(15)9-10-23(17)11-16(24)25/h1-8,17H,9-11H2,(H3,20,21)(H,22,26)(H,24,25)