methyl (2S)-3-methyl-2-[[5-methyl-1-(2-methylphenyl)-3-oxidanylidene-hex-4-enyl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[5-methyl-1-(2-methylphenyl)-3-oxidanylidene-hex-4-enyl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[5-methyl-1-(o-tolyl)-3-oxo-hex-4-enyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[5-methyl-1-(2-methylphenyl)-3-oxohex-4-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[5-methyl-1-(2-methylphenyl)-3-oxohex-4-enyl]amino]butanoate Traditional Name: (2S)-2-[[3-keto-5-methyl-1-(o-tolyl)hex-4-enyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)C=C(C)C)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)C=C(C)C)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C20H29NO3/c1-13(2)11-16(22)12-18(17-10-8-7-9-15(17)5)21-19(14(3)4)20(23)24-6/h7-11,14,18-19,21H,12H2,1-6H3/t18?,19-/m0/s1