2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3,3-dimethyl-2-oxo-pentanoyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3,3-dimethyl-2-oxopentanoyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)OC

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)OC

InChI

InChI=1S/C18H23NO5/c1-5-18(2,3)15(20)16(21)19-10-12-8-13(24-4)7-6-11(12)9-14(19)17(22)23/h6-8,14H,5,9-10H2,1-4H3,(H,22,23)