[5-[3,3-dimethyl-2,6-bis(oxidanylidene)piperidin-1-yl]pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [5-[3,3-dimethyl-2,6-bis(oxidanylidene)piperidin-1-yl]pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [5-(3,3-dimethyl-2,6-dioxo-1-piperidyl)-2-pyridyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(3,3-dimethyl-2,6-dioxo-1-piperidinyl)-2-pyridinyl] ester IUPAC Name: [5-(3,3-dimethyl-2,6-dioxopiperidin-1-yl)pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(2,6-diketo-3,3-dimethyl-piperidino)-2-pyridyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)N(C1=O)C2=CN=C(C=C2)OC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1(CCC(=O)N(C1=O)C2=CN=C(C=C2)OC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C22H23N3O4/c1-22(2)11-9-19(26)25(20(22)27)17-7-8-18(23-13-17)29-21(28)24-12-10-15-5-3-4-6-16(15)14-24/h3-8,13H,9-12,14H2,1-2H3