3-pyridin-3-ylpropyl 2-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 2-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3-(3-pyridyl)propyl 2-(2-cyclohexyl-2-oxo-acetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(2-cyclohexyl-1,2-dioxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-(2-cyclohexyl-2-oxoacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-cyclohexyl-2-keto-acetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(=O)N2CC3=CC=CC=C3CC2C(=O)OCCCC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)C(=O)N2CC3=CC=CC=C3CC2C(=O)OCCCC4=CN=CC=C4

InChI

InChI=1S/C26H30N2O4/c29-24(20-10-2-1-3-11-20)25(30)28-18-22-13-5-4-12-21(22)16-23(28)26(31)32-15-7-9-19-8-6-14-27-17-19/h4-6,8,12-14,17,20,23H,1-3,7,9-11,15-16,18H2