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

Systemtic Name: ethyl 4-[2-[1-(4-bromanyl-2-piperidin-1-yl-phenyl)butylamino]-2-oxidanylidene-ethyl]benzoate Openeye Name: ethyl 4-[2-[1-[4-bromo-2-(1-piperidyl)phenyl]butylamino]-2-oxo-ethyl]benzoate CAS Name: 4-[2-[1-[4-bromo-2-(1-piperidinyl)phenyl]butylamino]-2-oxoethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(4-bromo-2-piperidin-1-ylphenyl)butylamino]-2-oxoethyl]benzoate Traditional Name: 4-[2-[1-(4-bromo-2-piperidino-phenyl)butylamino]-2-keto-ethyl]benzoic acid ethyl ester Formula: C26H33BrN2O3 MolecularWeight: 501.45582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33BrN2O3/c1-3-8-23(22-14-13-21(27)18-24(22)29-15-6-5-7-16-29)28-25(30)17-19-9-11-20(12-10-19)26(31)32-4-2/h9-14,18,23H,3-8,15-17H2,1-2H3,(H,28,30)