butyl 3-[[(2-methyl-8-oxidanyl-quinolin-7-yl)-thiophen-2-yl-methyl]amino]benzoate

Systemtic Name: butyl 3-[[(2-methyl-8-oxidanyl-quinolin-7-yl)-thiophen-2-yl-methyl]amino]benzoate Openeye Name: butyl 3-[[(8-hydroxy-2-methyl-7-quinolyl)-(2-thienyl)methyl]amino]benzoate CAS Name: 3-[[(8-hydroxy-2-methyl-7-quinolinyl)-thiophen-2-ylmethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[(8-hydroxy-2-methylquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate Traditional Name: 3-[[(8-hydroxy-2-methyl-7-quinolyl)-(2-thienyl)methyl]amino]benzoic acid butyl ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3S/c1-3-4-14-31-26(30)19-7-5-8-20(16-19)28-24(22-9-6-15-32-22)21-13-12-18-11-10-17(2)27-23(18)25(21)29/h5-13,15-16,24,28-29H,3-4,14H2,1-2H3