(3S)-3-(4-tert-butylphenyl)-3-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: (3S)-3-(4-tert-butylphenyl)-3-(furan-2-ylcarbonylamino)propanoate Openeye Name: (3S)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate CAS Name: (3S)-3-(4-tert-butylphenyl)-3-[[2-furanyl(oxo)methyl]amino]propanoate IUPAC Name: (3S)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate Traditional Name: (3S)-3-(4-tert-butylphenyl)-3-(2-furoylamino)propionate Formula: C18H20NO4- MolecularWeight: 314.3557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H21NO4/c1-18(2,3)13-8-6-12(7-9-13)14(11-16(20)21)19-17(22)15-5-4-10-23-15/h4-10,14H,11H2,1-3H3,(H,19,22)(H,20,21)/p-1/t14-/m0/s1