methyl (4S)-2-methylidene-4-[[(2S)-3-methyl-1-oxidanyl-butan-2-yl]amino]-4-phenyl-butanoate

Systemtic Name: methyl (4S)-2-methylidene-4-[[(2S)-3-methyl-1-oxidanyl-butan-2-yl]amino]-4-phenyl-butanoate Openeye Name: methyl (4S)-4-[[(1S)-1-(hydroxymethyl)-2-methyl-propyl]amino]-2-methylene-4-phenyl-butanoate CAS Name: (4S)-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methylene-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (4S)-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methylidene-4-phenylbutanoate Traditional Name: 2-[(2S)-2-[[(1S)-2-methyl-1-methylol-propyl]amino]-2-phenyl-ethyl]acrylic acid methyl ester Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC(CC(=C)C(=O)OC)C1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](CO)N[C@@H](CC(=C)C(=O)OC)C1=CC=CC=C1

InChI

InChI=1S/C17H25NO3/c1-12(2)16(11-19)18-15(10-13(3)17(20)21-4)14-8-6-5-7-9-14/h5-9,12,15-16,18-19H,3,10-11H2,1-2,4H3/t15-,16+/m0/s1