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

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]heptanoic acid Openeye Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]heptanoic acid CAS Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]heptanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]heptanoic acid Traditional Name: 3-[6-(4-amidinobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]enanthic acid Formula: C24H29N3O4 MolecularWeight: 423.50476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-2-3-4-19(14-22(28)29)27-12-11-18-13-20(9-10-21(18)24(27)30)31-15-16-5-7-17(8-6-16)23(25)26/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H3,25,26)(H,28,29)