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

Systemtic Name: 4-(4-methoxyphenyl)butyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 4-(4-methoxyphenyl)butyl 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 4-(4-methoxyphenyl)butyl ester IUPAC Name: 4-(4-methoxyphenyl)butyl 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 4-(4-methoxyphenyl)butyl ester Formula: C28H35NO5 MolecularWeight: 465.5812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCCCCC3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCCCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C28H35NO5/c1-5-28(2,3)25(30)26(31)29-19-22-12-7-6-11-21(22)18-24(29)27(32)34-17-9-8-10-20-13-15-23(33-4)16-14-20/h6-7,11-16,24H,5,8-10,17-19H2,1-4H3