4-(3,4-dimethoxyphenyl)-8-iodanyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Systemtic Name: 4-(3,4-dimethoxyphenyl)-8-iodanyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Openeye Name: 4-(3,4-dimethoxyphenyl)-8-iodo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid CAS Name: 4-(3,4-dimethoxyphenyl)-8-iodo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid IUPAC Name: 4-(3,4-dimethoxyphenyl)-8-iodo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Traditional Name: 4-(3,4-dimethoxyphenyl)-8-iodo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Formula: C18H18INO4 MolecularWeight: 439.24429

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(NC3=C2C=CC=C3I)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(NC3=C2C=CC=C3I)C(=O)O)OC

InChI

InChI=1S/C18H18INO4/c1-23-15-7-6-10(8-16(15)24-2)12-9-14(18(21)22)20-17-11(12)4-3-5-13(17)19/h3-8,12,14,20H,9H2,1-2H3,(H,21,22)