[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H22ClNO5/c1-4-26-18-16(21)10-15(11-17(18)25-3)20(24)27-13(2)19(23)22-12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3,(H,22,23)