methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-isoquinolin-6-yl-phenyl]propanoate

Systemtic Name: methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-isoquinolin-6-yl-phenyl]propanoate Openeye Name: methyl 3-[4-indan-2-yloxy-3-(6-isoquinolyl)phenyl]propanoate CAS Name: 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-(6-isoquinolinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-isoquinolin-6-ylphenyl]propanoate Traditional Name: 3-[4-indan-2-yloxy-3-(6-isoquinolyl)phenyl]propionic acid methyl ester Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)OC2CC3=CC=CC=C3C2)C4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)OC2CC3=CC=CC=C3C2)C4=CC5=C(C=C4)C=NC=C5

InChI

InChI=1S/C28H25NO3/c1-31-28(30)11-7-19-6-10-27(32-25-16-20-4-2-3-5-21(20)17-25)26(14-19)23-8-9-24-18-29-13-12-22(24)15-23/h2-6,8-10,12-15,18,25H,7,11,16-17H2,1H3