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

Systemtic Name: (1R,3R)-3-[(4-ethanoylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate Openeye Name: (1R,3R)-3-[(4-acetylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate CAS Name: (1R,3R)-3-[(4-acetylanilino)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylate IUPAC Name: (1R,3R)-3-[(4-acetylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate Traditional Name: (1R,3R)-3-[(4-acetylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate Formula: C18H22NO4- MolecularWeight: 316.37158

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4/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)/p-1/t14-,18-/m0/s1