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2-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

2-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name:2-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Openeye Name:2-(2-cyclohexyl-2-oxo-acetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CAS Name:2-(2-cyclohexyl-1,2-dioxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
IUPAC Name:2-(2-cyclohexyl-2-oxoacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Traditional Name:2-(2-cyclohexyl-2-keto-acetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Formula: C18H21NO4
MolecularWeight: 315.36364
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(=O)N2CC3=CC=CC=C3CC2C(=O)O


Isomeric SMILES

C1CCC(CC1)C(=O)C(=O)N2CC3=CC=CC=C3CC2C(=O)O


InChI

InChI=1S/C18H21NO4/c20-16(12-6-2-1-3-7-12)17(21)19-11-14-9-5-4-8-13(14)10-15(19)18(22)23/h4-5,8-9,12,15H,1-3,6-7,10-11H2,(H,22,23)


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