ethyl (3S)-1-[9,10-bis(oxidanylidene)anthracen-1-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[9,10-bis(oxidanylidene)anthracen-1-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(9,10-dioxo-1-anthryl)piperidine-3-carboxylate CAS Name: (3S)-1-(9,10-dioxo-1-anthracenyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(9,10-dioxoanthracen-1-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(9,10-diketo-1-anthryl)nipecotic acid ethyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21NO4/c1-2-27-22(26)14-7-6-12-23(13-14)18-11-5-10-17-19(18)21(25)16-9-4-3-8-15(16)20(17)24/h3-5,8-11,14H,2,6-7,12-13H2,1H3/t14-/m0/s1