methyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(3,3-dimethyl-2-oxo-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethyl-2-oxopentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)OC

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)OC

InChI

InChI=1S/C18H23NO4/c1-5-18(2,3)15(20)16(21)19-11-13-9-7-6-8-12(13)10-14(19)17(22)23-4/h6-9,14H,5,10-11H2,1-4H3