[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-cyclopentylpropanoate

Systemtic Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-cyclopentylpropanoate Openeye Name: [(1S)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [(2S)-1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [(1S)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2CCCC2

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C(C)C)OC(=O)CCC2CCCC2

InChI

InChI=1S/C21H29NO4/c1-14(2)21(25)22-18-11-9-17(10-12-18)20(24)15(3)26-19(23)13-8-16-6-4-5-7-16/h9-12,14-16H,4-8,13H2,1-3H3,(H,22,25)/t15-/m0/s1