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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1Br)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1Br)NC(=O)C2=CC=C(C=C2)OC

InChI

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