[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C16H21BrN2O3 MolecularWeight: 369.25354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C16H21BrN2O3/c1-2-12-5-3-4-8-19(12)15(20)10-22-16(21)13-9-11(17)6-7-14(13)18/h6-7,9,12H,2-5,8,10,18H2,1H3/t12-/m0/s1