(1R,6S)-6-(3-ethylpent-1-yn-3-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-(3-ethylpent-1-yn-3-ylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-(1,1-diethylprop-2-ynylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(3-ethylpent-1-yn-3-ylamino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-(3-ethylpent-1-yn-3-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-(1,1-diethylprop-2-ynylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1CC(=C(CC1C(=O)O)C)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)[C@H]1CC(=C(C[C@H]1C(=O)O)C)C

InChI

InChI=1S/C17H25NO3/c1-6-17(7-2,8-3)18-15(19)13-9-11(4)12(5)10-14(13)16(20)21/h1,13-14H,7-10H2,2-5H3,(H,18,19)(H,20,21)/t13-,14+/m0/s1