2-(carboxymethyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Openeye Name: 2-(carboxymethyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid CAS Name: 2-(carboxymethyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid IUPAC Name: 2-(carboxymethyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Traditional Name: 2-(carboxymethyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)C(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)C(=O)O)CC(=O)O

InChI

InChI=1S/C12H13NO4/c14-11(15)7-13-4-3-8-5-9(12(16)17)1-2-10(8)6-13/h1-2,5H,3-4,6-7H2,(H,14,15)(H,16,17)