phenacyl 3-[(4-oxidanylidene-4-phenacyloxy-butanoyl)amino]benzoate

Systemtic Name: phenacyl 3-[(4-oxidanylidene-4-phenacyloxy-butanoyl)amino]benzoate Openeye Name: phenacyl 3-[(4-oxo-4-phenacyloxy-butanoyl)amino]benzoate CAS Name: 3-[(1,4-dioxo-4-phenacyloxybutyl)amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 3-[(4-oxo-4-phenacyloxybutanoyl)amino]benzoate Traditional Name: 3-[(4-keto-4-phenacyloxy-butanoyl)amino]benzoic acid phenacyl ester Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H23NO7/c29-23(19-8-3-1-4-9-19)17-34-26(32)15-14-25(31)28-22-13-7-12-21(16-22)27(33)35-18-24(30)20-10-5-2-6-11-20/h1-13,16H,14-15,17-18H2,(H,28,31)