2,2-diethyl-4-oxidanylidene-4-[[3-[(7-phenylmethoxyquinolin-2-yl)methoxy]phenyl]amino]butanoic acid

Systemtic Name: 2,2-diethyl-4-oxidanylidene-4-[[3-[(7-phenylmethoxyquinolin-2-yl)methoxy]phenyl]amino]butanoic acid Openeye Name: 4-[3-[(7-benzyloxy-2-quinolyl)methoxy]anilino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 2,2-diethyl-4-oxo-4-[3-[(7-phenylmethoxy-2-quinolinyl)methoxy]anilino]butanoic acid IUPAC Name: 2,2-diethyl-4-oxo-4-[3-[(7-phenylmethoxyquinolin-2-yl)methoxy]anilino]butanoic acid Traditional Name: 4-[3-[(7-benzoxy-2-quinolyl)methoxy]anilino]-2,2-diethyl-4-keto-butyric acid Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)OCC4=CC=CC=C4)C=C2)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)OCC4=CC=CC=C4)C=C2)C(=O)O

InChI

InChI=1S/C31H32N2O5/c1-3-31(4-2,30(35)36)19-29(34)33-24-11-8-12-26(17-24)38-21-25-15-13-23-14-16-27(18-28(23)32-25)37-20-22-9-6-5-7-10-22/h5-18H,3-4,19-21H2,1-2H3,(H,33,34)(H,35,36)