2-[1-[3a-(methoxymethyl)-7a-oxidanyl-1,3-benzodioxol-5-yl]propan-2-yl-(phenylmethyl)amino]-1-phenyl-ethanone

Systemtic Name: 2-[1-[3a-(methoxymethyl)-7a-oxidanyl-1,3-benzodioxol-5-yl]propan-2-yl-(phenylmethyl)amino]-1-phenyl-ethanone Openeye Name: 2-[[2-[7a-hydroxy-3a-(methoxymethyl)-1,3-benzodioxol-5-yl]-1-methyl-ethyl]-benzyl-amino]-1-phenyl-ethanone CAS Name: 2-[1-[7a-hydroxy-3a-(methoxymethyl)-1,3-benzodioxol-5-yl]propan-2-yl-(phenylmethyl)amino]-1-phenylethanone IUPAC Name: 2-[1-[7a-hydroxy-3a-(methoxymethyl)-1,3-benzodioxol-5-yl]propan-2-yl-benzylamino]-1-phenylethanone Traditional Name: 2-[[2-[7a-hydroxy-3a-(methoxymethyl)-1,3-benzodioxol-5-yl]-1-methyl-ethyl]-benzyl-amino]-1-phenyl-ethanone Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2(C(C=C1)(OCO2)O)COC)N(CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(CC1=CC2(C(C=C1)(OCO2)O)COC)N(CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31NO5/c1-21(15-23-13-14-27(30)26(16-23,19-31-2)32-20-33-27)28(17-22-9-5-3-6-10-22)18-25(29)24-11-7-4-8-12-24/h3-14,16,21,30H,15,17-20H2,1-2H3