(2S)-2-(4-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)-3-cyclohexyl-propanoic acid

Systemtic Name: (2S)-2-(4-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)-3-cyclohexyl-propanoic acid Openeye Name: (2S)-2-(7-chloro-1-oxo-isoindolin-2-yl)-3-cyclohexyl-propanoic acid CAS Name: (2S)-2-(4-chloro-3-oxo-1H-isoindol-2-yl)-3-cyclohexylpropanoic acid IUPAC Name: (2S)-2-(4-chloro-3-oxo-1H-isoindol-2-yl)-3-cyclohexylpropanoic acid Traditional Name: (2S)-2-(7-chloro-1-keto-isoindolin-2-yl)-3-cyclohexyl-propionic acid Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)O)N2CC3=C(C2=O)C(=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)O)N2CC3=C(C2=O)C(=CC=C3)Cl

InChI

InChI=1S/C17H20ClNO3/c18-13-8-4-7-12-10-19(16(20)15(12)13)14(17(21)22)9-11-5-2-1-3-6-11/h4,7-8,11,14H,1-3,5-6,9-10H2,(H,21,22)/t14-/m0/s1