2-[(4-bromophenyl)methyl]-4-(cyclohexylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl]-4-(cyclohexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-[(4-bromophenyl)methyl]-4-(cyclohexylamino)-4-oxo-butanoic acid CAS Name: 2-[(4-bromophenyl)methyl]-4-(cyclohexylamino)-4-oxobutanoic acid IUPAC Name: 2-[(4-bromophenyl)methyl]-4-(cyclohexylamino)-4-oxobutanoic acid Traditional Name: 2-(4-bromobenzyl)-4-(cyclohexylamino)-4-keto-butyric acid Formula: C17H22BrNO3 MolecularWeight: 368.26548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CC(CC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)CC(CC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H22BrNO3/c18-14-8-6-12(7-9-14)10-13(17(21)22)11-16(20)19-15-4-2-1-3-5-15/h6-9,13,15H,1-5,10-11H2,(H,19,20)(H,21,22)