sodium (1R,3S)-3-[(4-ethanoylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate

Systemtic Name: sodium (1R,3S)-3-[(4-ethanoylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate Openeye Name: sodium (1R,3S)-3-[(4-acetylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate CAS Name: sodium (1R,3S)-3-[(4-acetylanilino)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylate IUPAC Name: sodium (1R,3S)-3-[(4-acetylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate Traditional Name: sodium (1R,3S)-3-[(4-acetylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate Formula: C18H22NNaO4 MolecularWeight: 339.36135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4.Na/c1-11(20)12-5-7-13(8-6-12)19-15(21)14-9-10-18(4,16(22)23)17(14,2)3;/h5-8,14H,9-10H2,1-4H3,(H,19,21)(H,22,23);/q;+1/p-1/t14-,18+;/m1./s1