[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)OC(C)C)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)OC(C)C)OC)C

InChI

InChI=1S/C27H29NO5/c1-17(2)32-23-12-11-21(16-24(23)31-5)27(30)33-25(20-9-7-6-8-10-20)26(29)28-22-14-18(3)13-19(4)15-22/h6-17,25H,1-5H3,(H,28,29)