[5-(phenylcarbonyloxymethyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]methyl benzoate

Systemtic Name: [5-(phenylcarbonyloxymethyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]methyl benzoate Openeye Name: [5-(benzoyloxymethyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]methyl benzoate CAS Name: benzoic acid [5-(benzoyloxymethyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]methyl ester IUPAC Name: [5-(benzoyloxymethyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]methyl benzoate Traditional Name: benzoic acid [5-(benzoyloxymethyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl]methyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(CN1)COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C=C(CC(CN1)COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO4/c24-21(19-7-3-1-4-8-19)26-15-17-11-12-23-14-18(13-17)16-27-22(25)20-9-5-2-6-10-20/h1-11,18,23H,12-16H2