5-azanyl-6-(2-hydroxyethyl)-3-methyl-2-phenyl-7-(phenylmethyl)quinoline-4-carboxylic acid

Systemtic Name: 5-azanyl-6-(2-hydroxyethyl)-3-methyl-2-phenyl-7-(phenylmethyl)quinoline-4-carboxylic acid Openeye Name: 5-amino-7-benzyl-6-(2-hydroxyethyl)-3-methyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 5-amino-6-(2-hydroxyethyl)-3-methyl-2-phenyl-7-(phenylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 5-amino-7-benzyl-6-(2-hydroxyethyl)-3-methyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 5-amino-7-benzyl-6-(2-hydroxyethyl)-3-methyl-2-phenyl-cinchoninic acid Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=C(C(=C(C2=C1C(=O)O)N)CCO)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C2C=C(C(=C(C2=C1C(=O)O)N)CCO)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-16-22(26(30)31)23-21(28-25(16)18-10-6-3-7-11-18)15-19(20(12-13-29)24(23)27)14-17-8-4-2-5-9-17/h2-11,15,29H,12-14,27H2,1H3,(H,30,31)