[4-[4-methoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-1-methyl-piperidin-4-yl]methyl benzoate

Systemtic Name: [4-[4-methoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-1-methyl-piperidin-4-yl]methyl benzoate Openeye Name: [4-(4-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-1-methyl-4-piperidyl]methyl benzoate CAS Name: benzoic acid [4-(4-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)-1-methyl-4-piperidinyl]methyl ester IUPAC Name: [4-(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-1-methylpiperidin-4-yl]methyl benzoate Traditional Name: benzoic acid [4-(3,6-diketo-4-methoxy-cyclohexa-1,4-dien-1-yl)-1-methyl-4-piperidyl]methyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(COC(=O)C2=CC=CC=C2)C3=CC(=O)C(=CC3=O)OC

Isomeric SMILES

CN1CCC(CC1)(COC(=O)C2=CC=CC=C2)C3=CC(=O)C(=CC3=O)OC

InChI

InChI=1S/C21H23NO5/c1-22-10-8-21(9-11-22,14-27-20(25)15-6-4-3-5-7-15)16-12-18(24)19(26-2)13-17(16)23/h3-7,12-13H,8-11,14H2,1-2H3