(3S,4S)-4-[(6-azanyl-1,3-benzodioxol-5-yl)methyl]-3-[(2-azanyl-4,5-dimethoxy-phenyl)methyl]oxolan-2-one

Systemtic Name: (3S,4S)-4-[(6-azanyl-1,3-benzodioxol-5-yl)methyl]-3-[(2-azanyl-4,5-dimethoxy-phenyl)methyl]oxolan-2-one Openeye Name: (3S,4S)-4-[(6-amino-1,3-benzodioxol-5-yl)methyl]-3-[(2-amino-4,5-dimethoxy-phenyl)methyl]tetrahydrofuran-2-one CAS Name: (3S,4S)-4-[(6-amino-1,3-benzodioxol-5-yl)methyl]-3-[(2-amino-4,5-dimethoxyphenyl)methyl]-2-oxolanone IUPAC Name: (3S,4S)-4-[(6-amino-1,3-benzodioxol-5-yl)methyl]-3-[(2-amino-4,5-dimethoxyphenyl)methyl]oxolan-2-one Traditional Name: (3S,4S)-4-[(6-amino-1,3-benzodioxol-5-yl)methyl]-3-(2-amino-4,5-dimethoxy-benzyl)tetrahydrofuran-2-one Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2C(COC2=O)CC3=CC4=C(C=C3N)OCO4)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[C@H]2[C@@H](COC2=O)CC3=CC4=C(C=C3N)OCO4)N)OC

InChI

InChI=1S/C21H24N2O6/c1-25-17-5-12(15(22)7-18(17)26-2)4-14-13(9-27-21(14)24)3-11-6-19-20(8-16(11)23)29-10-28-19/h5-8,13-14H,3-4,9-10,22-23H2,1-2H3/t13-,14+/m1/s1