2-[(1R)-2-(1-adamantylmethoxy)-1-phenyl-ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[(1R)-2-(1-adamantylmethoxy)-1-phenyl-ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[(1R)-2-(1-adamantylmethoxy)-1-phenyl-ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[(1R)-2-(1-adamantylmethoxy)-1-phenylethyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[(1R)-2-(1-adamantylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[(1R)-2-(1-adamantylmethoxy)-1-phenyl-ethyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COCC(C4=CC=CC=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC[C@@H](C4=CC=CC=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O

InChI

InChI=1S/C28H29NO5/c30-25-22-7-6-21(27(32)33)11-23(22)26(31)29(25)24(20-4-2-1-3-5-20)15-34-16-28-12-17-8-18(13-28)10-19(9-17)14-28/h1-7,11,17-19,24H,8-10,12-16H2,(H,32,33)/t17?,18?,19?,24-,28?/m0/s1