ethyl 3-chloranyl-4-[2-oxidanylidene-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-oxidanylidene-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoate Openeye Name: ethyl 3-chloro-4-[2-oxo-2-[1-[2-(1-piperidyl)phenyl]butylamino]ethyl]benzoate CAS Name: 3-chloro-4-[2-oxo-2-[1-[2-(1-piperidinyl)phenyl]butylamino]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoate Traditional Name: 3-chloro-4-[2-keto-2-[1-(2-piperidinophenyl)butylamino]ethyl]benzoic acid ethyl ester Formula: C26H33ClN2O3 MolecularWeight: 457.00482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCCCC2)NC(=O)CC3=C(C=C(C=C3)C(=O)OCC)Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCCCC2)NC(=O)CC3=C(C=C(C=C3)C(=O)OCC)Cl

InChI

InChI=1S/C26H33ClN2O3/c1-3-10-23(21-11-6-7-12-24(21)29-15-8-5-9-16-29)28-25(30)18-19-13-14-20(17-22(19)27)26(31)32-4-2/h6-7,11-14,17,23H,3-5,8-10,15-16,18H2,1-2H3,(H,28,30)