ethyl 4-[4-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]piperidin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]piperidin-1-yl]benzoate Openeye Name: ethyl 4-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-1-piperidyl]benzoate CAS Name: 4-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-1-piperidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidin-1-yl]benzoate Traditional Name: 4-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidino]benzoic acid ethyl ester Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCC(CC2)NCC(COC3=CC=C(C=C3)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCC(CC2)NCC(COC3=CC=C(C=C3)O)O

InChI

InChI=1S/C23H30N2O5/c1-2-29-23(28)17-3-5-19(6-4-17)25-13-11-18(12-14-25)24-15-21(27)16-30-22-9-7-20(26)8-10-22/h3-10,18,21,24,26-27H,2,11-16H2,1H3