[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCCCC2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCCCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H24ClNO5/c1-3-27-20-17(22)12-16(13-18(20)26-2)21(25)28-14-19(24)23-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3,(H,23,24)