4-[(3-chlorophenyl)methylamino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-chlorophenyl)methylamino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-chlorophenyl)methylamino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-[(3-chlorophenyl)methylamino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[(3-chlorophenyl)methylamino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-[(3-chlorobenzyl)amino]-2,2-diethyl-4-keto-butyric acid Formula: C15H20ClNO3 MolecularWeight: 297.7772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NCC1=CC(=CC=C1)Cl)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NCC1=CC(=CC=C1)Cl)C(=O)O

InChI

InChI=1S/C15H20ClNO3/c1-3-15(4-2,14(19)20)9-13(18)17-10-11-6-5-7-12(16)8-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)(H,19,20)