methyl (3S,4R)-4-[2-(2,2-dimethylpropanoylamino)phenyl]-3,4-diphenyl-butanoate

Systemtic Name: methyl (3S,4R)-4-[2-(2,2-dimethylpropanoylamino)phenyl]-3,4-diphenyl-butanoate Openeye Name: methyl (3S,4R)-4-[2-(2,2-dimethylpropanoylamino)phenyl]-3,4-diphenyl-butanoate CAS Name: (3S,4R)-4-[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-3,4-diphenylbutanoic acid methyl ester IUPAC Name: methyl (3S,4R)-4-[2-(2,2-dimethylpropanoylamino)phenyl]-3,4-diphenylbutanoate Traditional Name: (3S,4R)-3,4-diphenyl-4-[2-(pivaloylamino)phenyl]butyric acid methyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1C(C2=CC=CC=C2)C(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1[C@@H](C2=CC=CC=C2)[C@H](CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C28H31NO3/c1-28(2,3)27(31)29-24-18-12-11-17-22(24)26(21-15-9-6-10-16-21)23(19-25(30)32-4)20-13-7-5-8-14-20/h5-18,23,26H,19H2,1-4H3,(H,29,31)/t23-,26-/m1/s1