3-azanyl-1-[2-(3-methoxy-4-oxidanyl-phenyl)-3-pyrrolidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl]butan-1-one

Systemtic Name: 3-azanyl-1-[2-(3-methoxy-4-oxidanyl-phenyl)-3-pyrrolidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl]butan-1-one Openeye Name: 3-amino-1-[2-(4-hydroxy-3-methoxy-phenyl)-3-pyrrolidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl]butan-1-one CAS Name: 3-amino-1-[2-(4-hydroxy-3-methoxyphenyl)-3-(2-pyrrolidinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-butanone IUPAC Name: 3-amino-1-[2-(4-hydroxy-3-methoxyphenyl)-3-pyrrolidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl]butan-1-one Traditional Name: 3-amino-1-[2-(4-hydroxy-3-methoxy-phenyl)-3-pyrrolidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl]butan-1-one Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC2=C(C=C1)OC(C(O2)C3CCCN3)C4=CC(=C(C=C4)O)OC)N

Isomeric SMILES

CC(CC(=O)C1=CC2=C(C=C1)OC(C(O2)C3CCCN3)C4=CC(=C(C=C4)O)OC)N

InChI

InChI=1S/C23H28N2O5/c1-13(24)10-18(27)14-6-8-19-21(11-14)30-23(16-4-3-9-25-16)22(29-19)15-5-7-17(26)20(12-15)28-2/h5-8,11-13,16,22-23,25-26H,3-4,9-10,24H2,1-2H3