1-(1-adamantyl)ethanamine; 2,3-bis(phenylcarbonyloxy)butanedioic acid

Systemtic Name: 1-(1-adamantyl)ethanamine; 2,3-bis(phenylcarbonyloxy)butanedioic acid Openeye Name: 1-(1-adamantyl)ethanamine; 2,3-dibenzoyloxybutanedioic acid CAS Name: 1-(1-adamantyl)ethanamine; 2,3-dibenzoyloxybutanedioic acid IUPAC Name: 1-(1-adamantyl)ethanamine; 2,3-dibenzoyloxybutanedioic acid Traditional Name: 1-(1-adamantyl)ethylamine; 2,3-dibenzoyloxysuccinic acid Formula: C30H35NO8 MolecularWeight: 537.6008

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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.C12H21N/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;1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h1-10,13-14H,(H,19,20)(H,21,22);8-11H,2-7,13H2,1H3