methyl (1R,5S)-5-(4-acetamidophenyl)-2-oxidanylidene-3-propyl-cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,5S)-5-(4-acetamidophenyl)-2-oxidanylidene-3-propyl-cyclopentane-1-carboxylate Openeye Name: methyl (1R,5S)-5-(4-acetamidophenyl)-2-oxo-3-propyl-cyclopentanecarboxylate CAS Name: (1R,5S)-5-(4-acetamidophenyl)-2-oxo-3-propyl-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-5-(4-acetamidophenyl)-2-oxo-3-propylcyclopentane-1-carboxylate Traditional Name: (1R,5S)-5-(4-acetamidophenyl)-2-keto-3-propyl-cyclopentanecarboxylic acid methyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(C(C1=O)C(=O)OC)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCC1C[C@@H]([C@H](C1=O)C(=O)OC)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H23NO4/c1-4-5-13-10-15(16(17(13)21)18(22)23-3)12-6-8-14(9-7-12)19-11(2)20/h6-9,13,15-16H,4-5,10H2,1-3H3,(H,19,20)/t13?,15-,16-/m1/s1