4,4-bis[4-(quinolin-2-ylmethyl)phenyl]pentanoic acid

Systemtic Name: 4,4-bis[4-(quinolin-2-ylmethyl)phenyl]pentanoic acid Openeye Name: 4,4-bis[4-(2-quinolylmethyl)phenyl]pentanoic acid CAS Name: 4,4-bis[4-(2-quinolinylmethyl)phenyl]pentanoic acid IUPAC Name: 4,4-bis[4-(quinolin-2-ylmethyl)phenyl]pentanoic acid Traditional Name: 4,4-bis[4-(2-quinolylmethyl)phenyl]valeric acid Formula: C37H32N2O2 MolecularWeight: 536.66218

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)CC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CC(CCC(=O)O)(C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)CC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C37H32N2O2/c1-37(23-22-36(40)41,30-16-10-26(11-17-30)24-32-20-14-28-6-2-4-8-34(28)38-32)31-18-12-27(13-19-31)25-33-21-15-29-7-3-5-9-35(29)39-33/h2-21H,22-25H2,1H3,(H,40,41)