[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethyl] (2S,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-phenylpentanoic acid [2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2S,3S)-3-methyl-2-phenyl-valeric acid [2-keto-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-6-17(2)22(19-10-8-7-9-11-19)23(28)30-16-21(27)18-12-14-20(15-13-18)26-24(29)25(3,4)5/h7-15,17,22H,6,16H2,1-5H3,(H,26,29)/t17-,22-/m0/s1