ethyl 4-[2-[1-(2-chloranyl-6-piperidin-1-yl-phenyl)butylamino]-2-oxidanylidene-ethyl]benzoate

Systemtic Name: ethyl 4-[2-[1-(2-chloranyl-6-piperidin-1-yl-phenyl)butylamino]-2-oxidanylidene-ethyl]benzoate Openeye Name: ethyl 4-[2-[1-[2-chloro-6-(1-piperidyl)phenyl]butylamino]-2-oxo-ethyl]benzoate CAS Name: 4-[2-[1-[2-chloro-6-(1-piperidinyl)phenyl]butylamino]-2-oxoethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-chloro-6-piperidin-1-ylphenyl)butylamino]-2-oxoethyl]benzoate Traditional Name: 4-[2-[1-(2-chloro-6-piperidino-phenyl)butylamino]-2-keto-ethyl]benzoic acid ethyl ester Formula: C26H33ClN2O3 MolecularWeight: 457.00482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC=C1Cl)N2CCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC(C1=C(C=CC=C1Cl)N2CCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H33ClN2O3/c1-3-9-22(25-21(27)10-8-11-23(25)29-16-6-5-7-17-29)28-24(30)18-19-12-14-20(15-13-19)26(31)32-4-2/h8,10-15,22H,3-7,9,16-18H2,1-2H3,(H,28,30)