[2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate

Systemtic Name: [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate Openeye Name: [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-keto-ethyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)COC(=O)C2=CC=C(C=C2)CO)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)COC(=O)C2=CC=C(C=C2)CO)C)C(C)(C)C

InChI

InChI=1S/C24H31NO4/c1-16-12-20(24(3,4)5)13-17(2)21(16)10-11-25-22(27)15-29-23(28)19-8-6-18(14-26)7-9-19/h6-9,12-13,26H,10-11,14-15H2,1-5H3,(H,25,27)