2,3-bis(phenylcarbonyloxy)butanedioic acid; methyl 2-(1-adamantyl)-2-azanyl-ethanoate

Systemtic Name: 2,3-bis(phenylcarbonyloxy)butanedioic acid; methyl 2-(1-adamantyl)-2-azanyl-ethanoate Openeye Name: 2,3-dibenzoyloxybutanedioic acid; methyl 2-(1-adamantyl)-2-amino-acetate CAS Name: 2-(1-adamantyl)-2-aminoacetic acid methyl ester; 2,3-dibenzoyloxybutanedioic acid IUPAC Name: 2,3-dibenzoyloxybutanedioic acid; methyl 2-(1-adamantyl)-2-aminoacetate Traditional Name: 2-(1-adamantyl)-2-amino-acetic acid methyl ester; 2,3-dibenzoyloxysuccinic acid Formula: C31H35NO10 MolecularWeight: 581.6103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C12CC3CC(C1)CC(C3)C2)N.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC(=O)C(C12CC3CC(C1)CC(C3)C2)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.C13H21NO2/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;1-16-12(15)11(14)13-5-8-2-9(6-13)4-10(3-8)7-13/h1-10,13-14H,(H,19,20)(H,21,22);8-11H,2-7,14H2,1H3