methyl 3-(4-cyclohexyloxy-3-isoquinolin-6-yl-phenyl)propanoate

Systemtic Name: methyl 3-(4-cyclohexyloxy-3-isoquinolin-6-yl-phenyl)propanoate Openeye Name: methyl 3-[4-(cyclohexoxy)-3-(6-isoquinolyl)phenyl]propanoate CAS Name: 3-[4-cyclohexyloxy-3-(6-isoquinolinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-cyclohexyloxy-3-isoquinolin-6-ylphenyl)propanoate Traditional Name: 3-[4-(cyclohexoxy)-3-(6-isoquinolyl)phenyl]propionic acid methyl ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)OC2CCCCC2)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)OC2CCCCC2)C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C25H27NO3/c1-28-25(27)12-8-18-7-11-24(29-22-5-3-2-4-6-22)23(15-18)20-9-10-21-17-26-14-13-19(21)16-20/h7,9-11,13-17,22H,2-6,8,12H2,1H3