[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C26H26ClNO5 MolecularWeight: 467.94134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C26H26ClNO5/c1-31-23-16-21(15-22(27)25(23)32-2)26(30)33-18-24(29)28(17-20-11-7-4-8-12-20)14-13-19-9-5-3-6-10-19/h3-12,15-16H,13-14,17-18H2,1-2H3