7-oxidanyl-3-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]isochromen-1-one

Systemtic Name: 7-oxidanyl-3-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]isochromen-1-one Openeye Name: 3-[3-(4-benzyl-1-piperidyl)propoxy]-7-hydroxy-isochromen-1-one CAS Name: 7-hydroxy-3-[3-[4-(phenylmethyl)-1-piperidinyl]propoxy]-2-benzopyran-1-one IUPAC Name: 3-[3-(4-benzylpiperidin-1-yl)propoxy]-7-hydroxyisochromen-1-one Traditional Name: 3-[3-(4-benzylpiperidino)propoxy]-7-hydroxy-isocoumarin Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC4=C(C=C(C=C4)O)C(=O)O3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC4=C(C=C(C=C4)O)C(=O)O3

InChI

InChI=1S/C24H27NO4/c26-21-8-7-20-16-23(29-24(27)22(20)17-21)28-14-4-11-25-12-9-19(10-13-25)15-18-5-2-1-3-6-18/h1-3,5-8,16-17,19,26H,4,9-15H2