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

Systemtic Name: 2-[(1R)-3-(1-adamantyl)-1-phenyl-propyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[(1R)-3-(1-adamantyl)-1-phenyl-propyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[(1R)-3-(1-adamantyl)-1-phenylpropyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[(1R)-3-(1-adamantyl)-1-phenylpropyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[(1R)-3-(1-adamantyl)-1-phenyl-propyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4/c30-25-22-7-6-21(27(32)33)13-23(22)26(31)29(25)24(20-4-2-1-3-5-20)8-9-28-14-17-10-18(15-28)12-19(11-17)16-28/h1-7,13,17-19,24H,8-12,14-16H2,(H,32,33)/t17?,18?,19?,24-,28?/m1/s1