[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-cyclopentylpropanoate

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-cyclopentylpropanoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CCC3CCCC3

InChI

InChI=1S/C24H29NO3/c1-17-12-13-18(2)21(16-17)25-24(27)23(20-10-4-3-5-11-20)28-22(26)15-14-19-8-6-7-9-19/h3-5,10-13,16,19,23H,6-9,14-15H2,1-2H3,(H,25,27)/t23-/m0/s1