2-(3-ethoxyphenyl)-6-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-ethoxyphenyl)-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(3-ethoxyphenyl)-6-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(3-ethoxyphenyl)-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-ethoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 6-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=C(C=C3)C(C)C)C(=C2)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)C(C)C)C(=C2)C(=O)O

InChI

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