(4-bromophenyl)methyl (2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-bromophenyl)methyl (2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-bromophenyl)methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(o-anisoylamino)butyric acid (4-bromobenzyl) ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C20H22BrNO4/c1-13(2)18(20(24)26-12-14-8-10-15(21)11-9-14)22-19(23)16-6-4-5-7-17(16)25-3/h4-11,13,18H,12H2,1-3H3,(H,22,23)/t18-/m0/s1