methyl 4-[2-[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(benzylamino)-4-oxo-butanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[1,4-dioxo-4-[(phenylmethyl)amino]butoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(benzylamino)-4-oxobutanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[4-(benzylamino)-4-keto-butanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O6/c1-28-21(27)16-7-9-17(10-8-16)23-19(25)14-29-20(26)12-11-18(24)22-13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,22,24)(H,23,25)