ethyl 2-[2-(4-carbamimidoylphenoxy)-4-methyl-quinolin-7-yl]butanoate

Systemtic Name: ethyl 2-[2-(4-carbamimidoylphenoxy)-4-methyl-quinolin-7-yl]butanoate Openeye Name: ethyl 2-[2-(4-carbamimidoylphenoxy)-4-methyl-7-quinolyl]butanoate CAS Name: 2-[2-(4-carbamimidoylphenoxy)-4-methyl-7-quinolinyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-carbamimidoylphenoxy)-4-methylquinolin-7-yl]butanoate Traditional Name: 2-[2-(4-amidinophenoxy)-4-methyl-7-quinolyl]butyric acid ethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)C(=CC(=N2)OC3=CC=C(C=C3)C(=N)N)C)C(=O)OCC

Isomeric SMILES

CCC(C1=CC2=C(C=C1)C(=CC(=N2)OC3=CC=C(C=C3)C(=N)N)C)C(=O)OCC

InChI

InChI=1S/C23H25N3O3/c1-4-18(23(27)28-5-2)16-8-11-19-14(3)12-21(26-20(19)13-16)29-17-9-6-15(7-10-17)22(24)25/h6-13,18H,4-5H2,1-3H3,(H3,24,25)