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

Systemtic Name: 2-[(1S)-3-cyclohexyl-1-phenyl-propyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[(1S)-3-cyclohexyl-1-phenyl-propyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[(1S)-3-cyclohexyl-1-phenylpropyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[(1S)-3-cyclohexyl-1-phenylpropyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[(1S)-3-cyclohexyl-1-phenyl-propyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC[C@@H](C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

InChI

InChI=1S/C24H25NO4/c26-22-19-13-12-18(24(28)29)15-20(19)23(27)25(22)21(17-9-5-2-6-10-17)14-11-16-7-3-1-4-8-16/h2,5-6,9-10,12-13,15-16,21H,1,3-4,7-8,11,14H2,(H,28,29)/t21-/m0/s1