dodecyl 3-[(2-bromanyl-3-oxidanylidene-3-phenyl-propanoyl)amino]-4-chloranyl-benzoate

Systemtic Name: dodecyl 3-[(2-bromanyl-3-oxidanylidene-3-phenyl-propanoyl)amino]-4-chloranyl-benzoate Openeye Name: dodecyl 3-[(2-bromo-3-oxo-3-phenyl-propanoyl)amino]-4-chloro-benzoate CAS Name: 3-[(2-bromo-1,3-dioxo-3-phenylpropyl)amino]-4-chlorobenzoic acid dodecyl ester IUPAC Name: dodecyl 3-[(2-bromo-3-oxo-3-phenylpropanoyl)amino]-4-chlorobenzoate Traditional Name: 3-[(2-bromo-3-keto-3-phenyl-propanoyl)amino]-4-chloro-benzoic acid lauryl ester Formula: C28H35BrClNO4 MolecularWeight: 564.9388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=CC=CC=C2)Br

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=CC=CC=C2)Br

InChI

InChI=1S/C28H35BrClNO4/c1-2-3-4-5-6-7-8-9-10-14-19-35-28(34)22-17-18-23(30)24(20-22)31-27(33)25(29)26(32)21-15-12-11-13-16-21/h11-13,15-18,20,25H,2-10,14,19H2,1H3,(H,31,33)