2-(2-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(2-methyl-1-oxopentyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CCCC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C16H21NO3/c1-3-6-11(2)15(18)17-10-13-8-5-4-7-12(13)9-14(17)16(19)20/h4-5,7-8,11,14H,3,6,9-10H2,1-2H3,(H,19,20)