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

Systemtic Name: (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxy-quinolin-7-yl]oxybutylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]butylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolinyl]oxy]butylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]butylamino]-3-phenyl-propionic acid Formula: C36H35N3O6 MolecularWeight: 605.6796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OCCCCNC(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=C1OCCCCN[C@@H](CC3=CC=CC=C3)C(=O)O)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H35N3O6/c1-43-33-23-29-30(24-34(33)44-21-9-8-19-37-31(36(41)42)22-25-10-4-2-5-11-25)38-20-18-32(29)45-28-16-14-27(15-17-28)39-35(40)26-12-6-3-7-13-26/h2-7,10-18,20,23-24,31,37H,8-9,19,21-22H2,1H3,(H,39,40)(H,41,42)/t31-/m0/s1