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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2(CCC(C2(C)C)C(=O)[O-])C

Isomeric SMILES

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

InChI

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