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

Systemtic Name: (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxy-quinolin-7-yl]oxybutylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]butylamino]-2-phenyl-acetic acid CAS Name: (2S)-2-[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolinyl]oxy]butylamino]-2-phenylacetic acid IUPAC Name: (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutylamino]-2-phenylacetic acid Traditional Name: (2S)-2-[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]butylamino]-2-phenyl-acetic acid Formula: C35H33N3O6 MolecularWeight: 591.65302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OCCCCNC(C3=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](C3=CC=CC=C3)C(=O)O)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C35H33N3O6/c1-42-31-22-28-29(23-32(31)43-21-9-8-19-37-33(35(40)41)24-10-4-2-5-11-24)36-20-18-30(28)44-27-16-14-26(15-17-27)38-34(39)25-12-6-3-7-13-25/h2-7,10-18,20,22-23,33,37H,8-9,19,21H2,1H3,(H,38,39)(H,40,41)/t33-/m0/s1