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

Systemtic Name: 1-butyl-2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 1-butyl-2-(3,3-dimethyl-2-oxo-pentanoyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 1-butyl-2-(3,3-dimethyl-1,2-dioxopentyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 1-butyl-2-(3,3-dimethyl-2-oxopentanoyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 1-butyl-2-(2-keto-3,3-dimethyl-pentanoyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C28H35NO5 MolecularWeight: 465.5812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=CC=CC=C2C(C(N1C(=O)C(=O)C(C)(C)CC)C(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC1C2=CC=CC=C2C(C(N1C(=O)C(=O)C(C)(C)CC)C(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H35NO5/c1-6-8-13-22-20-11-9-10-12-21(20)23(18-14-16-19(34-5)17-15-18)24(27(32)33)29(22)26(31)25(30)28(3,4)7-2/h9-12,14-17,22-24H,6-8,13H2,1-5H3,(H,32,33)