ethyl 1-(2-oxidanylidenecyclohexyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-(2-oxidanylidenecyclohexyl)-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-(2-oxocyclohexyl)-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-oxocyclohexyl)-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-oxocyclohexyl)-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-ketocyclohexyl)-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC2=CC=CC=C2C1C3CCCCC3=O

Isomeric SMILES

CCOC(=O)N1C=CC2=CC=CC=C2C1C3CCCCC3=O

InChI

InChI=1S/C18H21NO3/c1-2-22-18(21)19-12-11-13-7-3-4-8-14(13)17(19)15-9-5-6-10-16(15)20/h3-4,7-8,11-12,15,17H,2,5-6,9-10H2,1H3