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

Systemtic Name: hexyl 4-[[(2-methyl-8-oxidanyl-quinolin-7-yl)-thiophen-2-yl-methyl]amino]benzoate Openeye Name: hexyl 4-[[(8-hydroxy-2-methyl-7-quinolyl)-(2-thienyl)methyl]amino]benzoate CAS Name: 4-[[(8-hydroxy-2-methyl-7-quinolinyl)-thiophen-2-ylmethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate Traditional Name: 4-[[(8-hydroxy-2-methyl-7-quinolyl)-(2-thienyl)methyl]amino]benzoic acid hexyl ester Formula: C28H30N2O3S MolecularWeight: 474.6144

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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)C=C2)O)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3S/c1-3-4-5-6-17-33-28(32)21-11-14-22(15-12-21)30-26(24-8-7-18-34-24)23-16-13-20-10-9-19(2)29-25(20)27(23)31/h7-16,18,26,30-31H,3-6,17H2,1-2H3