[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)OCC

InChI

InChI=1S/C22H27NO5/c1-3-5-13-27-19-12-11-18(14-20(19)26-4-2)22(25)28-16-21(24)23-15-17-9-7-6-8-10-17/h6-12,14H,3-5,13,15-16H2,1-2H3,(H,23,24)