[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4/c1-16(2)13-22(26)24-20-11-9-19(10-12-20)21(25)15-28-23(27)14-17(3)18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H,24,26)/t17-/m0/s1