3-methylbutyl 4-chloranyl-3-[(3-oxidanylidene-3-phenyl-propanoyl)amino]benzoate

Systemtic Name: 3-methylbutyl 4-chloranyl-3-[(3-oxidanylidene-3-phenyl-propanoyl)amino]benzoate Openeye Name: isopentyl 4-chloro-3-[(3-oxo-3-phenyl-propanoyl)amino]benzoate CAS Name: 4-chloro-3-[(1,3-dioxo-3-phenylpropyl)amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-chloro-3-[(3-oxo-3-phenylpropanoyl)amino]benzoate Traditional Name: 4-chloro-3-[(3-keto-3-phenyl-propanoyl)amino]benzoic acid isoamyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22ClNO4/c1-14(2)10-11-27-21(26)16-8-9-17(22)18(12-16)23-20(25)13-19(24)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,25)