(3S)-3-(1,3-benzodioxol-5-yl)-3-(cyclohexylcarbonylamino)propanoate

Systemtic Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-(cyclohexylcarbonylamino)propanoate Openeye Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-(cyclohexanecarbonylamino)propanoate CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-[[cyclohexyl(oxo)methyl]amino]propanoate IUPAC Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-(cyclohexanecarbonylamino)propanoate Traditional Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-(cyclohexanecarbonylamino)propionate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(CC(=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(CC1)C(=O)N[C@@H](CC(=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21NO5/c19-16(20)9-13(18-17(21)11-4-2-1-3-5-11)12-6-7-14-15(8-12)23-10-22-14/h6-8,11,13H,1-5,9-10H2,(H,18,21)(H,19,20)/p-1/t13-/m0/s1