ethyl 4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylamino]benzoate

Systemtic Name: ethyl 4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylamino]benzoate Openeye Name: ethyl 4-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylamino]benzoate CAS Name: 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methylamino]benzoate Traditional Name: 4-[(4-acetyl-3-hydroxy-2-propyl-benzyl)amino]benzoic acid ethyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CNC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CNC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H25NO4/c1-4-6-19-16(9-12-18(14(3)23)20(19)24)13-22-17-10-7-15(8-11-17)21(25)26-5-2/h7-12,22,24H,4-6,13H2,1-3H3