5-[(6-carboxycyclohex-3-en-1-yl)methyl]-2,2-dimethyl-4-(phenylmethyl)-1,3-oxazolidine-3-carboxylic acid

Systemtic Name: 5-[(6-carboxycyclohex-3-en-1-yl)methyl]-2,2-dimethyl-4-(phenylmethyl)-1,3-oxazolidine-3-carboxylic acid Openeye Name: 4-benzyl-5-[(6-carboxycyclohex-3-en-1-yl)methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid CAS Name: 5-[(6-carboxy-1-cyclohex-3-enyl)methyl]-2,2-dimethyl-4-(phenylmethyl)-3-oxazolidinecarboxylic acid IUPAC Name: 4-benzyl-5-[(6-carboxycyclohex-3-en-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid Traditional Name: 4-benzyl-5-[(6-carboxycyclohex-3-en-1-yl)methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(C(O1)CC2CC=CCC2C(=O)O)CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(N(C(C(O1)CC2CC=CCC2C(=O)O)CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C21H27NO5/c1-21(2)22(20(25)26)17(12-14-8-4-3-5-9-14)18(27-21)13-15-10-6-7-11-16(15)19(23)24/h3-9,15-18H,10-13H2,1-2H3,(H,23,24)(H,25,26)