3-oxidanylidene-2-[1-(phenylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxylic acid; phosphoric acid

Systemtic Name: 3-oxidanylidene-2-[1-(phenylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxylic acid; phosphoric acid Openeye Name: 2-(1-benzyl-4-piperidyl)-3-oxo-isoindoline-4-carboxylic acid; phosphoric acid CAS Name: 3-oxo-2-[1-(phenylmethyl)-4-piperidinyl]-1H-isoindole-4-carboxylic acid; phosphoric acid IUPAC Name: 2-(1-benzylpiperidin-4-yl)-3-oxo-1H-isoindole-4-carboxylic acid; phosphoric acid Traditional Name: 2-(1-benzyl-4-piperidyl)-3-keto-isoindoline-4-carboxylic acid; phosphoric acid Formula: C21H25N2O7P MolecularWeight: 448.406161

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC(=C3C2=O)C(=O)O)CC4=CC=CC=C4.OP(=O)(O)O

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC(=C3C2=O)C(=O)O)CC4=CC=CC=C4.OP(=O)(O)O

InChI

InChI=1S/C21H22N2O3.H3O4P/c24-20-19-16(7-4-8-18(19)21(25)26)14-23(20)17-9-11-22(12-10-17)13-15-5-2-1-3-6-15;1-5(2,3)4/h1-8,17H,9-14H2,(H,25,26);(H3,1,2,3,4)