methyl (2S)-2-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[4-(3,4-dimethylphenyl)-4-oxo-butanoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[4-(3,4-dimethylphenyl)-1,4-dioxobutyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[4-(3,4-dimethylphenyl)-4-keto-butanoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)NC(CO)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-10-4-5-12(8-11(10)2)14(19)6-7-15(20)17-13(9-18)16(21)22-3/h4-5,8,13,18H,6-7,9H2,1-3H3,(H,17,20)/t13-/m0/s1