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

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-chloranylbenzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO4/c1-13(2)11-19(24)22-17-9-5-14(6-10-17)18(23)12-26-20(25)15-3-7-16(21)8-4-15/h3-10,13H,11-12H2,1-2H3,(H,22,24)