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

Systemtic Name: 3,3-diphenylpropyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3,3-diphenylpropyl 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 3,3-diphenylpropyl ester IUPAC Name: 3,3-diphenylpropyl 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 3,3-diphenylpropyl ester Formula: C32H35NO4 MolecularWeight: 497.6246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H35NO4/c1-4-32(2,3)29(34)30(35)33-22-26-18-12-11-17-25(26)21-28(33)31(36)37-20-19-27(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-18,27-28H,4,19-22H2,1-3H3