[(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [(1R)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [(1R)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C26H26N2O4/c1-17-9-11-19(12-10-17)24(29)22-7-5-6-8-23(22)26(31)32-18(2)25(30)27-20-13-15-21(16-14-20)28(3)4/h5-16,18H,1-4H3,(H,27,30)/t18-/m1/s1