methyl (2S)-2-[3,7-dimethyloct-6-enyl(3-oxidanylidenebutanoyl)amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[3,7-dimethyloct-6-enyl(3-oxidanylidenebutanoyl)amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[3,7-dimethyloct-6-enyl(3-oxobutanoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[3,7-dimethyloct-6-enyl(1,3-dioxobutyl)amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3,7-dimethyloct-6-enyl(3-oxobutanoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[acetoacetyl(3,7-dimethyloct-6-enyl)amino]-4-methyl-valeric acid methyl ester Formula: C21H37NO4 MolecularWeight: 367.52278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N(CCC(C)CCC=C(C)C)C(=O)CC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H37NO4/c1-15(2)9-8-10-17(5)11-12-22(20(24)14-18(6)23)19(13-16(3)4)21(25)26-7/h9,16-17,19H,8,10-14H2,1-7H3/t17?,19-/m0/s1