methyl (2S)-2-[(3-methoxyphenyl)methyl-(3-oxidanylidenebutanoyl)amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[(3-methoxyphenyl)methyl-(3-oxidanylidenebutanoyl)amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[(3-methoxyphenyl)methyl-(3-oxobutanoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[1,3-dioxobutyl-[(3-methoxyphenyl)methyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-methoxyphenyl)methyl-(3-oxobutanoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[acetoacetyl(m-anisyl)amino]-4-methyl-valeric acid methyl ester Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N(CC1=CC(=CC=C1)OC)C(=O)CC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)N(CC1=CC(=CC=C1)OC)C(=O)CC(=O)C

InChI

InChI=1S/C19H27NO5/c1-13(2)9-17(19(23)25-5)20(18(22)10-14(3)21)12-15-7-6-8-16(11-15)24-4/h6-8,11,13,17H,9-10,12H2,1-5H3/t17-/m0/s1