4-methoxybutyl 3-[3-(4-carbamimidoylphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate

Systemtic Name: 4-methoxybutyl 3-[3-(4-carbamimidoylphenyl)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate Openeye Name: 4-methoxybutyl 3-[3-(4-carbamimidoylphenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate CAS Name: 3-[3-(4-carbamimidoylphenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid 4-methoxybutyl ester IUPAC Name: 4-methoxybutyl 3-[3-(4-carbamimidoylphenyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate Traditional Name: 3-[3-(4-amidinophenyl)-1-keto-3,4-dihydroisoquinolin-2-yl]propionic acid 4-methoxybutyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCOC(=O)CCN1C(CC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COCCCCOC(=O)CCN1C(CC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H29N3O4/c1-30-14-4-5-15-31-22(28)12-13-27-21(17-8-10-18(11-9-17)23(25)26)16-19-6-2-3-7-20(19)24(27)29/h2-3,6-11,21H,4-5,12-16H2,1H3,(H3,25,26)