2-[[2-cyano-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]amino]butanedioic acid

Systemtic Name: 2-[[2-cyano-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]amino]butanedioic acid Openeye Name: 2-(4-tert-butoxycarbonyl-2-cyano-anilino)butanedioic acid CAS Name: 2-[2-cyano-4-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino]butanedioic acid IUPAC Name: 2-[2-cyano-4-[(2-methylpropan-2-yl)oxycarbonyl]anilino]butanedioic acid Traditional Name: 2-(4-tert-butoxycarbonyl-2-cyano-anilino)succinic acid Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)NC(CC(=O)O)C(=O)O)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)NC(CC(=O)O)C(=O)O)C#N

InChI

InChI=1S/C16H18N2O6/c1-16(2,3)24-15(23)9-4-5-11(10(6-9)8-17)18-12(14(21)22)7-13(19)20/h4-6,12,18H,7H2,1-3H3,(H,19,20)(H,21,22)