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

Systemtic Name: cyclopentyl (2S)-2-[3-[4-(4-benzamidophenoxy)-6-methoxy-quinolin-7-yl]oxypropylamino]-2-phenyl-ethanoate Openeye Name: cyclopentyl (2S)-2-[3-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]propylamino]-2-phenyl-acetate CAS Name: (2S)-2-[3-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolinyl]oxy]propylamino]-2-phenylacetic acid cyclopentyl ester IUPAC Name: cyclopentyl (2S)-2-[3-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxypropylamino]-2-phenylacetate Traditional Name: (2S)-2-[3-[[4-(4-benzamidophenoxy)-6-methoxy-7-quinolyl]oxy]propylamino]-2-phenyl-acetic acid cyclopentyl ester Formula: C39H39N3O6 MolecularWeight: 645.74346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OCCCNC(C3=CC=CC=C3)C(=O)OC4CCCC4)OC5=CC=C(C=C5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OCCCN[C@@H](C3=CC=CC=C3)C(=O)OC4CCCC4)OC5=CC=C(C=C5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C39H39N3O6/c1-45-35-25-32-33(40-23-21-34(32)47-31-19-17-29(18-20-31)42-38(43)28-13-6-3-7-14-28)26-36(35)46-24-10-22-41-37(27-11-4-2-5-12-27)39(44)48-30-15-8-9-16-30/h2-7,11-14,17-21,23,25-26,30,37,41H,8-10,15-16,22,24H2,1H3,(H,42,43)/t37-/m0/s1