[4-chloranyl-3-[(4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]phenyl] 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: [4-chloranyl-3-[(4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]phenyl] 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: [4-chloro-3-[(4,4-dimethyl-3-oxo-pentanoyl)amino]phenyl] 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid [4-chloro-3-[(4,4-dimethyl-1,3-dioxopentyl)amino]phenyl] ester IUPAC Name: [4-chloro-3-[(4,4-dimethyl-3-oxopentanoyl)amino]phenyl] 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid [4-chloro-3-[(3-keto-4,4-dimethyl-pentanoyl)amino]phenyl] ester Formula: C28H36ClNO5 MolecularWeight: 502.04214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC(=C(C=C2)Cl)NC(=O)CC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC(=C(C=C2)Cl)NC(=O)CC(=O)C(C)(C)C

InChI

InChI=1S/C28H36ClNO5/c1-26(2,3)18-12-16(13-19(24(18)33)27(4,5)6)25(34)35-17-10-11-20(29)21(14-17)30-23(32)15-22(31)28(7,8)9/h10-14,33H,15H2,1-9H3,(H,30,32)