5-(2-phosphonoethyl)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-3-carboxylic acid

Systemtic Name: 5-(2-phosphonoethyl)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-3-carboxylic acid Openeye Name: 5-(2-phosphonoethyl)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-3-carboxylic acid CAS Name: 5-(2-phosphonoethyl)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-3-carboxylic acid IUPAC Name: 5-(2-phosphonoethyl)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-3-carboxylic acid Traditional Name: 5-(2-phosphonoethyl)-1,2,3,4-tetrahydrobenz[g]isoquinoline-3-carboxylic acid Formula: C16H18NO5P MolecularWeight: 335.291581

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC3=CC=CC=C3C(=C21)CCP(=O)(O)O)C(=O)O

Isomeric SMILES

C1C(NCC2=CC3=CC=CC=C3C(=C21)CCP(=O)(O)O)C(=O)O

InChI

InChI=1S/C16H18NO5P/c18-16(19)15-8-14-11(9-17-15)7-10-3-1-2-4-12(10)13(14)5-6-23(20,21)22/h1-4,7,15,17H,5-6,8-9H2,(H,18,19)(H2,20,21,22)