2-[6-[[3-[[bis(azanyl)methylideneamino]methyl]phenyl]methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[[3-[[bis(azanyl)methylideneamino]methyl]phenyl]methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[6-[[3-(guanidinomethyl)phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[6-[[3-[(diaminomethylideneamino)methyl]phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[6-[[3-[(diaminomethylideneamino)methyl]phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[6-[3-(guanidinomethyl)benzyl]oxy-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC(=C3)CN=C(N)N)CC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC(=C3)CN=C(N)N)CC(=O)O

InChI

InChI=1S/C20H22N4O4/c21-20(22)23-10-13-2-1-3-14(8-13)12-28-16-4-5-17-15(9-16)6-7-24(19(17)27)11-18(25)26/h1-5,8-9H,6-7,10-12H2,(H,25,26)(H4,21,22,23)