sodium (1R,3S)-3-[(2,6-dimethylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate

Systemtic Name: sodium (1R,3S)-3-[(2,6-dimethylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate Openeye Name: sodium (1R,3S)-3-[(2,6-dimethylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate CAS Name: sodium (1R,3S)-3-[(2,6-dimethylanilino)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylate IUPAC Name: sodium (1R,3S)-3-[(2,6-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate Traditional Name: sodium (1R,3S)-3-[(2,6-dimethylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate Formula: C18H24NNaO3 MolecularWeight: 325.37783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2CCC(C2(C)C)(C)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H]2CC[C@@](C2(C)C)(C)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H25NO3.Na/c1-11-7-6-8-12(2)14(11)19-15(20)13-9-10-18(5,16(21)22)17(13,3)4;/h6-8,13H,9-10H2,1-5H3,(H,19,20)(H,21,22);/q;+1/p-1/t13-,18+;/m1./s1