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

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-6-methoxy-hexanoic acid Openeye Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-6-methoxy-hexanoic acid CAS Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-6-methoxyhexanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-6-methoxyhexanoic acid Traditional Name: 3-[6-(4-amidinobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]-6-methoxy-hexanoic acid Formula: C24H29N3O5 MolecularWeight: 439.50416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5/c1-31-12-2-3-19(14-22(28)29)27-11-10-18-13-20(8-9-21(18)24(27)30)32-15-16-4-6-17(7-5-16)23(25)26/h4-9,13,19H,2-3,10-12,14-15H2,1H3,(H3,25,26)(H,28,29)