2-[6-[2-(3-carbamimidoylphenyl)ethyl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[2-(3-carbamimidoylphenyl)ethyl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[6-[2-(3-carbamimidoylphenyl)ethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[6-[2-(3-carbamimidoylphenyl)ethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[6-[2-(3-carbamimidoylphenyl)ethyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[6-[2-(3-amidinophenyl)ethyl]-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)CCC3=CC=CC(=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)CCC3=CC=CC(=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C20H21N3O3/c21-19(22)16-3-1-2-13(11-16)4-5-14-6-7-17-15(10-14)8-9-23(20(17)26)12-18(24)25/h1-3,6-7,10-11H,4-5,8-9,12H2,(H3,21,22)(H,24,25)