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

Systemtic Name: (3S)-2-(2-ethylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-(2-ethylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-(2-ethyl-1-oxobutyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-(2-ethylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-(2-ethylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O

InChI

InChI=1S/C16H21NO3/c1-3-11(4-2)15(18)17-10-13-8-6-5-7-12(13)9-14(17)16(19)20/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,19,20)/t14-/m0/s1