[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-[(1-benzyl-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O4/c22-16-6-7-19(25)18(12-16)21(27)28-14-20(26)23-17-8-10-24(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,17,25H,8-11,13-14H2,(H,23,26)