methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-[[(3R)-piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-[[(3R)-piperidin-3-yl]carbonylamino]propanoate Openeye Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-[[(3R)-piperidine-3-carbonyl]amino]propanoate CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-[[oxo-[(3R)-3-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-[[(3R)-piperidine-3-carbonyl]amino]propanoate Traditional Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-[[(3R)-nipecotoyl]amino]propionic acid methyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3CCCNC3

Isomeric SMILES

COC(=O)C[C@@H](C1=CC2=C(C=C1)OCO2)NC(=O)[C@@H]3CCCNC3

InChI

InChI=1S/C17H22N2O5/c1-22-16(20)8-13(19-17(21)12-3-2-6-18-9-12)11-4-5-14-15(7-11)24-10-23-14/h4-5,7,12-13,18H,2-3,6,8-10H2,1H3,(H,19,21)/t12-,13+/m1/s1