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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CCCC(CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

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