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

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [2-[(1-benzyl-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c22-16-6-7-18(19(25)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)