[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H29NO4/c1-16(2)14-22(27)25-20-12-8-17(9-13-20)21(26)15-29-23(28)18-6-10-19(11-7-18)24(3,4)5/h6-13,16H,14-15H2,1-5H3,(H,25,27)