ethyl 2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]amino]acetate CAS Name: 2-[[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]amino]acetate Traditional Name: 2-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]amino]acetic acid ethyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-2-23-16(21)9-18-17(22)20-7-3-4-13(10-20)19-12-5-6-14-15(8-12)25-11-24-14/h5-6,8,13,19H,2-4,7,9-11H2,1H3,(H,18,22)/t13-/m0/s1