[2-(azepan-1-yl)-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C23H23NO3/c25-21(24-13-7-1-2-8-14-24)16-27-23(26)22-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)22/h3-6,9-12,15H,1-2,7-8,13-14,16H2