methyl 3-[4-cyclopentyloxy-3-(1-oxidanylidene-2H-isoquinolin-6-yl)phenyl]propanoate

Systemtic Name: methyl 3-[4-cyclopentyloxy-3-(1-oxidanylidene-2H-isoquinolin-6-yl)phenyl]propanoate Openeye Name: methyl 3-[4-(cyclopentoxy)-3-(1-oxo-2H-isoquinolin-6-yl)phenyl]propanoate CAS Name: 3-[4-cyclopentyloxy-3-(1-oxo-2H-isoquinolin-6-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-cyclopentyloxy-3-(1-oxo-2H-isoquinolin-6-yl)phenyl]propanoate Traditional Name: 3-[4-(cyclopentoxy)-3-(1-keto-2H-isoquinolin-6-yl)phenyl]propionic acid methyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)OC2CCCC2)C3=CC4=C(C=C3)C(=O)NC=C4

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)OC2CCCC2)C3=CC4=C(C=C3)C(=O)NC=C4

InChI

InChI=1S/C24H25NO4/c1-28-23(26)11-7-16-6-10-22(29-19-4-2-3-5-19)21(14-16)17-8-9-20-18(15-17)12-13-25-24(20)27/h6,8-10,12-15,19H,2-5,7,11H2,1H3,(H,25,27)