1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-phenyl-pyrrolidin-1-yl)propan-1-one; ethanedioic acid

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-phenyl-pyrrolidin-1-yl)propan-1-one; ethanedioic acid Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-phenyl-pyrrolidin-1-yl)propan-1-one; oxalic acid CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-phenyl-1-pyrrolidinyl)-1-propanone; oxalic acid IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-phenylpyrrolidin-1-yl)propan-1-one; oxalic acid Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-phenyl-pyrrolidino)propan-1-one; oxalic acid Formula: C24H27NO7 MolecularWeight: 441.47368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1C2=CC=CC=C2)CCC(=O)C3=CC4=C(C=C3)OCCO4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CN(CC1C2=CC=CC=C2)CCC(=O)C3=CC4=C(C=C3)OCCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25NO3.C2H2O4/c1-16-14-23(15-19(16)17-5-3-2-4-6-17)10-9-20(24)18-7-8-21-22(13-18)26-12-11-25-21;3-1(4)2(5)6/h2-8,13,16,19H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)