tert-butyl 4-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-3-propan-2-yloxy-benzoate

Systemtic Name: tert-butyl 4-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-3-propan-2-yloxy-benzoate Openeye Name: tert-butyl 4-[(2-chloro-4,4-dimethyl-3-oxo-pentanoyl)amino]-3-isopropoxy-benzoate CAS Name: 4-[(2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]-3-propan-2-yloxybenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]-3-propan-2-yloxybenzoate Traditional Name: 4-[(2-chloro-3-keto-4,4-dimethyl-pentanoyl)amino]-3-isopropoxy-benzoic acid tert-butyl ester Formula: C21H30ClNO5 MolecularWeight: 411.9196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)C(=O)OC(C)(C)C)NC(=O)C(C(=O)C(C)(C)C)Cl

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)C(=O)OC(C)(C)C)NC(=O)C(C(=O)C(C)(C)C)Cl

InChI

InChI=1S/C21H30ClNO5/c1-12(2)27-15-11-13(19(26)28-21(6,7)8)9-10-14(15)23-18(25)16(22)17(24)20(3,4)5/h9-12,16H,1-8H3,(H,23,25)