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

Systemtic Name: (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxy-quinolin-7-yl]oxybutanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]butanoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolinyl]oxy]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[4-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]butanoylamino]-3-phenyl-propionic acid Formula: C36H33N3O7 MolecularWeight: 619.66312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OCCCC(=O)NC(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=C1OCCCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H33N3O7/c1-44-32-22-28-29(23-33(32)45-20-8-13-34(40)39-30(36(42)43)21-24-9-4-2-5-10-24)37-19-18-31(28)46-27-16-14-26(15-17-27)38-35(41)25-11-6-3-7-12-25/h2-7,9-12,14-19,22-23,30H,8,13,20-21H2,1H3,(H,38,41)(H,39,40)(H,42,43)/t30-/m0/s1