tert-butyl (2S)-2-[3-[4-(4-benzamidophenoxy)-6-methoxy-quinolin-7-yl]oxypropylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[3-[4-(4-benzamidophenoxy)-6-methoxy-quinolin-7-yl]oxypropylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[3-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]propylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[3-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolinyl]oxy]propylamino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[3-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxypropylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]propylamino]-3-phenyl-propionic acid tert-butyl ester Formula: C39H41N3O6 MolecularWeight: 647.75934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NCCCOC2=CC3=NC=CC(=C3C=C2OC)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NCCCOC2=CC3=NC=CC(=C3C=C2OC)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C39H41N3O6/c1-39(2,3)48-38(44)33(24-27-12-7-5-8-13-27)40-21-11-23-46-36-26-32-31(25-35(36)45-4)34(20-22-41-32)47-30-18-16-29(17-19-30)42-37(43)28-14-9-6-10-15-28/h5-10,12-20,22,25-26,33,40H,11,21,23-24H2,1-4H3,(H,42,43)/t33-/m0/s1