ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,4-dioxo-cyclobuten-1-yl]piperidine-3-carboxylate CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,4-dioxo-1-cyclobutenyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,4-dioxocyclobuten-1-yl]piperidine-3-carboxylate Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,4-diketo-cyclobuten-1-yl]nipecotic acid ethyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=O)C2=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2O4/c1-2-27-21(26)16-8-5-10-22(13-16)17-18(20(25)19(17)24)23-11-9-14-6-3-4-7-15(14)12-23/h3-4,6-7,16H,2,5,8-13H2,1H3