ethanedioic acid; 2-(1-phenethylpiperidin-4-yl)-2,3-dihydrochromen-4-one

Systemtic Name: ethanedioic acid; 2-(1-phenethylpiperidin-4-yl)-2,3-dihydrochromen-4-one Openeye Name: oxalic acid; 2-(1-phenethyl-4-piperidyl)chroman-4-one CAS Name: oxalic acid; 2-(1-phenethyl-4-piperidinyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: oxalic acid; 2-(1-phenethylpiperidin-4-yl)-2,3-dihydrochromen-4-one Traditional Name: oxalic acid; 2-(1-phenethyl-4-piperidyl)chroman-4-one Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CC(=O)C3=CC=CC=C3O2)CCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C2CC(=O)C3=CC=CC=C3O2)CCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25NO2.C2H2O4/c24-20-16-22(25-21-9-5-4-8-19(20)21)18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-9,18,22H,10-16H2;(H,3,4)(H,5,6)