(phenylmethyl) (2S)-3-methyl-2-[(4-methyl-2,2-diphenyl-pent-4-enoyl)amino]butanoate

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[(4-methyl-2,2-diphenyl-pent-4-enoyl)amino]butanoate Openeye Name: benzyl (2S)-3-methyl-2-[(4-methyl-2,2-diphenyl-pent-4-enoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(4-methyl-1-oxo-2,2-diphenylpent-4-enyl)amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[(4-methyl-2,2-diphenylpent-4-enoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(4-methyl-2,2-diphenyl-pent-4-enoyl)amino]butyric acid benzyl ester Formula: C30H33NO3 MolecularWeight: 455.58792

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H33NO3/c1-22(2)20-30(25-16-10-6-11-17-25,26-18-12-7-13-19-26)29(33)31-27(23(3)4)28(32)34-21-24-14-8-5-9-15-24/h5-19,23,27H,1,20-21H2,2-4H3,(H,31,33)/t27-/m0/s1