(phenylmethyl) (2S)-2-(2,2-diphenylpent-4-enoylamino)-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-(2,2-diphenylpent-4-enoylamino)-3-methyl-butanoate Openeye Name: benzyl (2S)-2-(2,2-diphenylpent-4-enoylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2,2-diphenylpent-4-enyl)amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(2,2-diphenylpent-4-enoylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2,2-diphenylpent-4-enoylamino)-3-methyl-butyric acid benzyl ester Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC=C)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C(CC=C)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H31NO3/c1-4-20-29(24-16-10-6-11-17-24,25-18-12-7-13-19-25)28(32)30-26(22(2)3)27(31)33-21-23-14-8-5-9-15-23/h4-19,22,26H,1,20-21H2,2-3H3,(H,30,32)/t26-/m0/s1