ethyl 4-[1-azanyl-4-oxidanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)butan-2-yl]-2-ethoxy-benzoate

Systemtic Name: ethyl 4-[1-azanyl-4-oxidanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)butan-2-yl]-2-ethoxy-benzoate Openeye Name: ethyl 4-[1-carbamoyl-3-hydroxy-2-[2-(1-piperidyl)phenyl]propyl]-2-ethoxy-benzoate CAS Name: 4-[1-amino-4-hydroxy-1-oxo-3-[2-(1-piperidinyl)phenyl]butan-2-yl]-2-ethoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[1-amino-4-hydroxy-1-oxo-3-(2-piperidin-1-ylphenyl)butan-2-yl]-2-ethoxybenzoate Traditional Name: 4-[1-carbamoyl-3-hydroxy-2-(2-piperidinophenyl)propyl]-2-ethoxy-benzoic acid ethyl ester Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(CO)C2=CC=CC=C2N3CCCCC3)C(=O)N)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(CO)C2=CC=CC=C2N3CCCCC3)C(=O)N)C(=O)OCC

InChI

InChI=1S/C26H34N2O5/c1-3-32-23-16-18(12-13-20(23)26(31)33-4-2)24(25(27)30)21(17-29)19-10-6-7-11-22(19)28-14-8-5-9-15-28/h6-7,10-13,16,21,24,29H,3-5,8-9,14-15,17H2,1-2H3,(H2,27,30)