[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2C)OCC

InChI

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