8-methoxy-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]quinoline-4-carboxylate

Systemtic Name: 8-methoxy-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]quinoline-4-carboxylate Openeye Name: 8-methoxy-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]quinoline-4-carboxylate CAS Name: 8-methoxy-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-4-quinolinecarboxylate IUPAC Name: 8-methoxy-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]quinoline-4-carboxylate Traditional Name: 8-methoxy-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]cinchoninate Formula: C27H24NO5- MolecularWeight: 442.48316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC(=C(C=C3)OCCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC(=C(C=C3)OCCCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H25NO5/c1-31-24-12-6-11-20-21(27(29)30)17-22(28-26(20)24)19-13-14-23(25(16-19)32-2)33-15-7-10-18-8-4-3-5-9-18/h3-6,8-9,11-14,16-17H,7,10,15H2,1-2H3,(H,29,30)/p-1