ethyl 4-[1-azanyl-3-(4-bromanyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-hexan-2-yl]benzoate

Systemtic Name: ethyl 4-[1-azanyl-3-(4-bromanyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-hexan-2-yl]benzoate Openeye Name: ethyl 4-[2-[4-bromo-2-(1-piperidyl)phenyl]-1-carbamoyl-pentyl]benzoate CAS Name: 4-[1-amino-3-[4-bromo-2-(1-piperidinyl)phenyl]-1-oxohexan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-amino-3-(4-bromo-2-piperidin-1-ylphenyl)-1-oxohexan-2-yl]benzoate Traditional Name: 4-[2-(4-bromo-2-piperidino-phenyl)-1-carbamoyl-pentyl]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)C(C3=CC=C(C=C3)C(=O)OCC)C(=O)N

Isomeric SMILES

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

InChI

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