3-pyridin-3-ylpropyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-7-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-7-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3-(3-pyridyl)propyl 7-acetyl-2-(3,3-dimethyl-2-oxo-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 7-acetyl-2-(3,3-dimethyl-1,2-dioxopentyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 7-acetyl-2-(3,3-dimethyl-2-oxopentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 7-acetyl-2-(2-keto-3,3-dimethyl-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CC2=C(CC1C(=O)OCCCC3=CN=CC=C3)C=CC(=C2)C(=O)C

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CC2=C(CC1C(=O)OCCCC3=CN=CC=C3)C=CC(=C2)C(=O)C

InChI

InChI=1S/C27H32N2O5/c1-5-27(3,4)24(31)25(32)29-17-22-14-20(18(2)30)10-11-21(22)15-23(29)26(33)34-13-7-9-19-8-6-12-28-16-19/h6,8,10-12,14,16,23H,5,7,9,13,15,17H2,1-4H3