4-(2-ethoxynaphthalen-1-yl)-6-iodanyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Systemtic Name: 4-(2-ethoxynaphthalen-1-yl)-6-iodanyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Openeye Name: 4-(2-ethoxy-1-naphthyl)-6-iodo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid CAS Name: 4-(2-ethoxy-1-naphthalenyl)-6-iodo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid IUPAC Name: 4-(2-ethoxynaphthalen-1-yl)-6-iodo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Traditional Name: 4-(2-ethoxy-1-naphthyl)-6-iodo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Formula: C22H20INO3 MolecularWeight: 473.30357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C3CC(NC4=C3C=C(C=C4)I)C(=O)O

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C3CC(NC4=C3C=C(C=C4)I)C(=O)O

InChI

InChI=1S/C22H20INO3/c1-2-27-20-10-7-13-5-3-4-6-15(13)21(20)17-12-19(22(25)26)24-18-9-8-14(23)11-16(17)18/h3-11,17,19,24H,2,12H2,1H3,(H,25,26)