methyl 3-[4-(cyclohexylmethoxy)-3-quinolin-6-yl-phenyl]propanoate

Systemtic Name: methyl 3-[4-(cyclohexylmethoxy)-3-quinolin-6-yl-phenyl]propanoate Openeye Name: methyl 3-[4-(cyclohexylmethoxy)-3-(6-quinolyl)phenyl]propanoate CAS Name: 3-[4-(cyclohexylmethoxy)-3-(6-quinolinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(cyclohexylmethoxy)-3-quinolin-6-ylphenyl]propanoate Traditional Name: 3-[4-(cyclohexylmethoxy)-3-(6-quinolyl)phenyl]propionic acid methyl ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCCC2)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCCC2)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C26H29NO3/c1-29-26(28)14-10-19-9-13-25(30-18-20-6-3-2-4-7-20)23(16-19)21-11-12-24-22(17-21)8-5-15-27-24/h5,8-9,11-13,15-17,20H,2-4,6-7,10,14,18H2,1H3