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

Systemtic Name: 3-[4-cyclopentyloxy-3-(1-oxidanylidene-2H-isoquinolin-6-yl)phenyl]propanoic acid Openeye Name: 3-[4-(cyclopentoxy)-3-(1-oxo-2H-isoquinolin-6-yl)phenyl]propanoic acid CAS Name: 3-[4-cyclopentyloxy-3-(1-oxo-2H-isoquinolin-6-yl)phenyl]propanoic acid IUPAC Name: 3-[4-cyclopentyloxy-3-(1-oxo-2H-isoquinolin-6-yl)phenyl]propanoic acid Traditional Name: 3-[4-(cyclopentoxy)-3-(1-keto-2H-isoquinolin-6-yl)phenyl]propionic acid Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)C(=O)NC=C4

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)C(=O)NC=C4

InChI

InChI=1S/C23H23NO4/c25-22(26)10-6-15-5-9-21(28-18-3-1-2-4-18)20(13-15)16-7-8-19-17(14-16)11-12-24-23(19)27/h5,7-9,11-14,18H,1-4,6,10H2,(H,24,27)(H,25,26)