3-[(3-chlorophenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

Systemtic Name: 3-[(3-chlorophenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid Openeye Name: 3-(N-tert-butoxycarbonyl-3-chloro-anilino)propanoic acid CAS Name: 3-(3-chloro-N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino)propanoic acid IUPAC Name: 3-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid Traditional Name: 3-(N-tert-butoxycarbonyl-3-chloro-anilino)propionic acid Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC(=O)O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC(=O)O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16(8-7-12(17)18)11-6-4-5-10(15)9-11/h4-6,9H,7-8H2,1-3H3,(H,17,18)