(5-bromanyl-2-methoxy-phenyl)methyl 2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid (5-bromo-2-methoxy-benzyl) ester Formula: C20H21BrClNO4 MolecularWeight: 454.74204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=CC(=C1)Br)OC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)C(C(=O)OCC1=C(C=CC(=C1)Br)OC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H21BrClNO4/c1-12(2)18(23-19(24)15-6-4-5-7-16(15)22)20(25)27-11-13-10-14(21)8-9-17(13)26-3/h4-10,12,18H,11H2,1-3H3,(H,23,24)