1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(phenylmethyl)pyrrolidin-1-yl]butan-1-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(phenylmethyl)pyrrolidin-1-yl]butan-1-one Openeye Name: 4-(2-benzylpyrrolidin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(phenylmethyl)-1-pyrrolidinyl]-1-butanone IUPAC Name: 4-(2-benzylpyrrolidin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one Traditional Name: 4-(2-benzylpyrrolidino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCCC(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)CCCC(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27NO3/c25-21(19-10-11-22-23(17-19)27-15-14-26-22)9-5-13-24-12-4-8-20(24)16-18-6-2-1-3-7-18/h1-3,6-7,10-11,17,20H,4-5,8-9,12-16H2