1-[(3aR,5R,6S,6aR)-6-[(2-bromanyl-5-methoxy-phenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-N-(1,3-benzodioxol-5-ylmethyl)methanamine

Systemtic Name: 1-[(3aR,5R,6S,6aR)-6-[(2-bromanyl-5-methoxy-phenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-N-(1,3-benzodioxol-5-ylmethyl)methanamine Openeye Name: 1-[(3aR,5R,6S,6aR)-6-[(2-bromo-5-methoxy-phenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-N-(1,3-benzodioxol-5-ylmethyl)methanamine CAS Name: 1-[(3aR,5R,6S,6aR)-6-[(2-bromo-5-methoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-N-(1,3-benzodioxol-5-ylmethyl)methanamine IUPAC Name: 1-[(3aR,5R,6S,6aR)-6-[(2-bromo-5-methoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-N-(1,3-benzodioxol-5-ylmethyl)methanamine Traditional Name: [(3aR,5R,6S,6aR)-6-(2-bromo-5-methoxy-benzyl)oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl-piperonyl-amine Formula: C24H28BrNO7 MolecularWeight: 522.38562

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)CNCC3=CC4=C(C=C3)OCO4)OCC5=C(C=CC(=C5)OC)Br)C

Isomeric SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CNCC3=CC4=C(C=C3)OCO4)OCC5=C(C=CC(=C5)OC)Br)C

InChI

InChI=1S/C24H28BrNO7/c1-24(2)32-22-21(28-12-15-9-16(27-3)5-6-17(15)25)20(31-23(22)33-24)11-26-10-14-4-7-18-19(8-14)30-13-29-18/h4-9,20-23,26H,10-13H2,1-3H3/t20-,21+,22-,23-/m1/s1