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

Systemtic Name: 3-cyclohexylpropyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3-cyclohexylpropyl 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 3-cyclohexylpropyl ester IUPAC Name: 3-cyclohexylpropyl 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 3-cyclohexylpropyl ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCCCC3CCCCC3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCCCC3CCCCC3

InChI

InChI=1S/C26H37NO4/c1-4-26(2,3)23(28)24(29)27-18-21-15-9-8-14-20(21)17-22(27)25(30)31-16-10-13-19-11-6-5-7-12-19/h8-9,14-15,19,22H,4-7,10-13,16-18H2,1-3H3