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

Systemtic Name: ethyl 3-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]amino]propanoate CAS Name: 3-[[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidinyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]amino]propanoate Traditional Name: 3-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]amino]propionic acid ethyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)N1CCCC(C1)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CCNC(=O)N1CCC[C@@H](C1)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O5/c1-2-24-17(22)7-8-19-18(23)21-9-3-4-14(11-21)20-13-5-6-15-16(10-13)26-12-25-15/h5-6,10,14,20H,2-4,7-9,11-12H2,1H3,(H,19,23)/t14-/m0/s1