[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(4-hydroxyphenyl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(4-hydroxyphenyl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(4-hydroxyphenyl)benzoate CAS Name: 3-(4-hydroxyphenyl)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(4-hydroxyphenyl)benzoate Traditional Name: 3-(4-hydroxyphenyl)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H23NO4/c23-19-10-8-16(9-11-19)17-6-5-7-18(14-17)21(25)26-15-20(24)22-12-3-1-2-4-13-22/h5-11,14,23H,1-4,12-13,15H2