(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-butoxy-3-ethoxy-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-butoxy-3-ethoxy-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)OCC

InChI

InChI=1S/C21H25NO5/c1-3-5-13-26-17-12-11-16(14-18(17)25-4-2)21(24)27-19(20(22)23)15-9-7-6-8-10-15/h6-12,14,19H,3-5,13H2,1-2H3,(H2,22,23)