2-(3-ethoxyphenyl)-8-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-ethoxyphenyl)-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(3-ethoxyphenyl)-8-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(3-ethoxyphenyl)-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-ethoxyphenyl)-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 8-isopropyl-2-m-phenetyl-cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3C(C)C)C(=C2)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3C(C)C)C(=C2)C(=O)O

InChI

InChI=1S/C21H21NO3/c1-4-25-15-8-5-7-14(11-15)19-12-18(21(23)24)17-10-6-9-16(13(2)3)20(17)22-19/h5-13H,4H2,1-3H3,(H,23,24)