ethyl (3S)-1-[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl]nipecotic acid ethyl ester Formula: C18H25BrN2O3 MolecularWeight: 397.3067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)[C@@H](C)C(=O)NC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C18H25BrN2O3/c1-4-24-18(23)14-6-5-9-21(11-14)13(3)17(22)20-16-8-7-12(2)10-15(16)19/h7-8,10,13-14H,4-6,9,11H2,1-3H3,(H,20,22)/t13-,14-/m0/s1