3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-propan-2-yl-2-propyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-propan-2-yl-2-propyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-isopropyl-2-propyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-propan-2-yl-2-propyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-propan-2-yl-2-propylquinoline-4-carboxylic acid Traditional Name: 3-[4-(2-carboxyphenyl)benzyl]-6-isopropyl-2-propyl-cinchoninic acid Formula: C30H29NO4 MolecularWeight: 467.55556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C=C(C=CC2=N1)C(C)C)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C(=C2C=C(C=CC2=N1)C(C)C)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C30H29NO4/c1-4-7-26-24(28(30(34)35)25-17-21(18(2)3)14-15-27(25)31-26)16-19-10-12-20(13-11-19)22-8-5-6-9-23(22)29(32)33/h5-6,8-15,17-18H,4,7,16H2,1-3H3,(H,32,33)(H,34,35)