(3R)-3-azanylpentanenitrile; 2,3-bis(phenylcarbonyloxy)butanedioic acid

Systemtic Name: (3R)-3-azanylpentanenitrile; 2,3-bis(phenylcarbonyloxy)butanedioic acid Openeye Name: (3R)-3-aminopentanenitrile; 2,3-dibenzoyloxybutanedioic acid CAS Name: (3R)-3-aminopentanenitrile; 2,3-dibenzoyloxybutanedioic acid IUPAC Name: (3R)-3-aminopentanenitrile; 2,3-dibenzoyloxybutanedioic acid Traditional Name: (3R)-3-aminovaleronitrile; 2,3-dibenzoyloxysuccinic acid Formula: C23H24N2O8 MolecularWeight: 456.44526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)N.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC[C@H](CC#N)N.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H14O8.C5H10N2/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;1-2-5(7)3-4-6/h1-10,13-14H,(H,19,20)(H,21,22);5H,2-3,7H2,1H3/t;5-/m.1/s1