1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]isonipecotic acid Formula: C15H19BrN2O3 MolecularWeight: 355.22696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)O)Br

InChI

InChI=1S/C15H19BrN2O3/c1-10-8-12(2-3-13(10)16)17-14(19)9-18-6-4-11(5-7-18)15(20)21/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)(H,20,21)