[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2,3,4,5,6-pentamethylbenzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)NCC2=CC=CC=C2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)NCC2=CC=CC=C2)C)C

InChI

InChI=1S/C21H25NO3/c1-13-14(2)16(4)20(17(5)15(13)3)21(24)25-12-19(23)22-11-18-9-7-6-8-10-18/h6-10H,11-12H2,1-5H3,(H,22,23)