7-chloranyl-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 7-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 7-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 7-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 7-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C12H14ClNO2 MolecularWeight: 239.69806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2=C(CC1C(=O)O)C=CC(=C2)Cl

Isomeric SMILES

CCN1CC2=C(CC1C(=O)O)C=CC(=C2)Cl

InChI

InChI=1S/C12H14ClNO2/c1-2-14-7-9-5-10(13)4-3-8(9)6-11(14)12(15)16/h3-5,11H,2,6-7H2,1H3,(H,15,16)