(2S)-2-[3-[4-(4-benzamidophenoxy)-6-methoxy-quinolin-7-yl]oxypropylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[3-[4-(4-benzamidophenoxy)-6-methoxy-quinolin-7-yl]oxypropylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[3-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]propylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[3-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolinyl]oxy]propylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[3-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxypropylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[3-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]propylamino]-3-phenyl-propionic acid Formula: C35H33N3O6 MolecularWeight: 591.65302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OCCCNC(CC3=CC=CC=C3)C(=O)O)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OCCCN[C@@H](CC3=CC=CC=C3)C(=O)O)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C35H33N3O6/c1-42-32-22-28-29(23-33(32)43-20-8-18-36-30(35(40)41)21-24-9-4-2-5-10-24)37-19-17-31(28)44-27-15-13-26(14-16-27)38-34(39)25-11-6-3-7-12-25/h2-7,9-17,19,22-23,30,36H,8,18,20-21H2,1H3,(H,38,39)(H,40,41)/t30-/m0/s1