4-(4-bromophenyl)-2-(cyclohexylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-(cyclohexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-(cyclohexylamino)-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-(cyclohexylamino)-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-(cyclohexylamino)-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-2-(cyclohexylamino)-4-keto-butyric acid Formula: C16H20BrNO3 MolecularWeight: 354.2389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c17-12-8-6-11(7-9-12)15(19)10-14(16(20)21)18-13-4-2-1-3-5-13/h6-9,13-14,18H,1-5,10H2,(H,20,21)