methyl 2-[3-(3-bromophenyl)propanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[3-(3-bromophenyl)propanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[3-(3-bromophenyl)propanoylamino]-4-methyl-pentanoate CAS Name: 2-[[3-(3-bromophenyl)-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[3-(3-bromophenyl)propanoylamino]-4-methylpentanoate Traditional Name: 2-[3-(3-bromophenyl)propanoylamino]-4-methyl-valeric acid methyl ester Formula: C16H22BrNO3 MolecularWeight: 356.25478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CCC1=CC(=CC=C1)Br

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CCC1=CC(=CC=C1)Br

InChI

InChI=1S/C16H22BrNO3/c1-11(2)9-14(16(20)21-3)18-15(19)8-7-12-5-4-6-13(17)10-12/h4-6,10-11,14H,7-9H2,1-3H3,(H,18,19)