methyl (3S)-3-(1,3-benzodioxol-5-ylcarbonylamino)-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl (3S)-3-(1,3-benzodioxol-5-ylcarbonylamino)-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl (3S)-3-(1,3-benzodioxole-5-carbonylamino)-3-(3,4-dimethoxyphenyl)propanoate CAS Name: (3S)-3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(1,3-benzodioxole-5-carbonylamino)-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: (3S)-3-(3,4-dimethoxyphenyl)-3-(piperonyloylamino)propionic acid methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC(=O)OC)NC(=O)C2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C20H21NO7/c1-24-15-6-4-12(8-17(15)25-2)14(10-19(22)26-3)21-20(23)13-5-7-16-18(9-13)28-11-27-16/h4-9,14H,10-11H2,1-3H3,(H,21,23)/t14-/m0/s1