ethyl 4-[(4-chlorophenyl)carbonyl-(2,4,4-trimethylpentan-2-yl)amino]butanoate

Systemtic Name: ethyl 4-[(4-chlorophenyl)carbonyl-(2,4,4-trimethylpentan-2-yl)amino]butanoate Openeye Name: ethyl 4-[(4-chlorobenzoyl)-(1,1,3,3-tetramethylbutyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]-(2,4,4-trimethylpentan-2-yl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorobenzoyl)-(2,4,4-trimethylpentan-2-yl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)-(1,1,3,3-tetramethylbutyl)amino]butyric acid ethyl ester Formula: C21H32ClNO3 MolecularWeight: 381.93668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C(=O)C1=CC=C(C=C1)Cl)C(C)(C)CC(C)(C)C

Isomeric SMILES

CCOC(=O)CCCN(C(=O)C1=CC=C(C=C1)Cl)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C21H32ClNO3/c1-7-26-18(24)9-8-14-23(21(5,6)15-20(2,3)4)19(25)16-10-12-17(22)13-11-16/h10-13H,7-9,14-15H2,1-6H3