[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 1-phenylcyclobutane-1-carboxylate

Systemtic Name: [2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 1-phenylcyclobutane-1-carboxylate Openeye Name: [2-(3-acetamido-4-hydroxy-phenyl)-2-oxo-ethyl] 1-phenylcyclobutanecarboxylate CAS Name: 1-phenyl-1-cyclobutanecarboxylic acid [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate Traditional Name: 1-phenylcyclobutanecarboxylic acid [2-(3-acetamido-4-hydroxy-phenyl)-2-keto-ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2(CCC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2(CCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H21NO5/c1-14(23)22-17-12-15(8-9-18(17)24)19(25)13-27-20(26)21(10-5-11-21)16-6-3-2-4-7-16/h2-4,6-9,12,24H,5,10-11,13H2,1H3,(H,22,23)