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

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]pentanoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]pentanoic acid CAS Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]pentanoic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]pentanoic acid Traditional Name: 2-[6-(4-amidinobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]valeric acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCC(C(=O)O)N1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25N3O4/c1-2-3-19(22(27)28)25-11-10-16-12-17(8-9-18(16)21(25)26)29-13-14-4-6-15(7-5-14)20(23)24/h4-9,12,19H,2-3,10-11,13H2,1H3,(H3,23,24)(H,27,28)