(1R,6S)-3,4-dimethyl-6-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-3,4-dimethyl-6-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-3,4-dimethyl-6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-[3-(2-oxo-1-pyrrolidinyl)propylamino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-3,4-dimethyl-6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[3-(2-ketopyrrolidino)propylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCCCN2CCCC2=O)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NCCCN2CCCC2=O)C(=O)O)C

InChI

InChI=1S/C17H26N2O4/c1-11-9-13(14(17(22)23)10-12(11)2)16(21)18-6-4-8-19-7-3-5-15(19)20/h13-14H,3-10H2,1-2H3,(H,18,21)(H,22,23)/t13-,14+/m0/s1