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

Systemtic Name: 3-pyridin-3-ylpropyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3-(3-pyridyl)propyl 2-(3,3-dimethyl-2-oxo-pentanoyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-(3,3-dimethyl-2-oxopentanoyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5/c1-5-26(2,3)23(29)24(30)28-17-20-14-21(32-4)11-10-19(20)15-22(28)25(31)33-13-7-9-18-8-6-12-27-16-18/h6,8,10-12,14,16,22H,5,7,9,13,15,17H2,1-4H3