hexyl 4-[[(8-oxidanylquinolin-7-yl)-thiophen-2-yl-methyl]amino]benzoate

Systemtic Name: hexyl 4-[[(8-oxidanylquinolin-7-yl)-thiophen-2-yl-methyl]amino]benzoate Openeye Name: hexyl 4-[[(8-hydroxy-7-quinolyl)-(2-thienyl)methyl]amino]benzoate CAS Name: 4-[[(8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate Traditional Name: 4-[[(8-hydroxy-7-quinolyl)-(2-thienyl)methyl]amino]benzoic acid hexyl ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4

InChI

InChI=1S/C27H28N2O3S/c1-2-3-4-5-17-32-27(31)20-10-13-21(14-11-20)29-25(23-9-7-18-33-23)22-15-12-19-8-6-16-28-24(19)26(22)30/h6-16,18,25,29-30H,2-5,17H2,1H3