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

Systemtic Name: (3S)-3-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-propoxyphenyl)propanoate Openeye Name: (3S)-3-(1,3-benzodioxole-5-carbonylamino)-3-(4-propoxyphenyl)propanoate CAS Name: (3S)-3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-propoxyphenyl)propanoate IUPAC Name: (3S)-3-(1,3-benzodioxole-5-carbonylamino)-3-(4-propoxyphenyl)propanoate Traditional Name: (3S)-3-(piperonyloylamino)-3-(4-propoxyphenyl)propionate Formula: C20H20NO6- MolecularWeight: 370.3759

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO6/c1-2-9-25-15-6-3-13(4-7-15)16(11-19(22)23)21-20(24)14-5-8-17-18(10-14)27-12-26-17/h3-8,10,16H,2,9,11-12H2,1H3,(H,21,24)(H,22,23)/p-1/t16-/m0/s1