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

Systemtic Name: ethyl (3S)-3-(1,3-benzodioxol-5-yl)-3-[[(3R)-piperidin-3-yl]carbonylamino]propanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-2-23-17(21)9-14(20-18(22)13-4-3-7-19-10-13)12-5-6-15-16(8-12)25-11-24-15/h5-6,8,13-14,19H,2-4,7,9-11H2,1H3,(H,20,22)/t13-,14+/m1/s1