methyl 2-[2-[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-[4-(4-ethoxyphenyl)-4-oxo-butanoyl]oxyacetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[4-(4-ethoxyphenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-ethoxyphenyl)-4-oxobutanoyl]oxyacetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-(4-keto-4-p-phenetyl-butanoyl)oxyacetyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO7/c1-5-28-16-8-6-15(7-9-16)18(23)10-11-20(25)29-13-19(24)22-17(12-14(2)3)21(26)27-4/h6-9,14,17H,5,10-13H2,1-4H3,(H,22,24)