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

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]hexanoic acid Openeye Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]hexanoic acid CAS Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]hexanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]hexanoic acid Traditional Name: 3-[6-(4-amidinobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]hexanoic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-2-3-18(13-21(27)28)26-11-10-17-12-19(8-9-20(17)23(26)29)30-14-15-4-6-16(7-5-15)22(24)25/h4-9,12,18H,2-3,10-11,13-14H2,1H3,(H3,24,25)(H,27,28)