methyl (2R)-2-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2R)-2-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2R)-2-[[4-(4-ethoxyphenyl)-4-oxo-butanoyl]amino]-3-hydroxy-propanoate CAS Name: (2R)-2-[[4-(4-ethoxyphenyl)-1,4-dioxobutyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-3-hydroxypropanoate Traditional Name: (2R)-3-hydroxy-2-[(4-keto-4-p-phenetyl-butanoyl)amino]propionic acid methyl ester Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N[C@H](CO)C(=O)OC

InChI

InChI=1S/C16H21NO6/c1-3-23-12-6-4-11(5-7-12)14(19)8-9-15(20)17-13(10-18)16(21)22-2/h4-7,13,18H,3,8-10H2,1-2H3,(H,17,20)/t13-/m1/s1