3-[4-[1-(1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)piperidin-2-yl]cyclohexyl]propanoic acid

Systemtic Name: 3-[4-[1-(1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)piperidin-2-yl]cyclohexyl]propanoic acid Openeye Name: 3-[4-[1-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-piperidyl]cyclohexyl]propanoic acid CAS Name: 3-[4-[1-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-piperidinyl]cyclohexyl]propanoic acid IUPAC Name: 3-[4-[1-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)piperidin-2-yl]cyclohexyl]propanoic acid Traditional Name: 3-[4-[1-(1-keto-3,4-dihydro-2H-isoquinolin-7-yl)-2-piperidyl]cyclohexyl]propionic acid Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2CCC(CC2)CCC(=O)O)C3=CC4=C(CCNC4=O)C=C3

Isomeric SMILES

C1CCN(C(C1)C2CCC(CC2)CCC(=O)O)C3=CC4=C(CCNC4=O)C=C3

InChI

InChI=1S/C23H32N2O3/c26-22(27)11-6-16-4-7-18(8-5-16)21-3-1-2-14-25(21)19-10-9-17-12-13-24-23(28)20(17)15-19/h9-10,15-16,18,21H,1-8,11-14H2,(H,24,28)(H,26,27)