IUPAC: 4-[benzyl-[1-[4-[(2,6-dimethyl-4-pyridin-4-ylbenzoyl)amino]butan-2-yl]piperidin-4-yl]amino]benzoic acid

SMILES: Cc1cc(-c2ccncc2)cc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccccc2)c2ccc(C(=O)O)cc2)CC1

Canonical SMILES: CC1=CC(=CC(=C1C(=O)NCCC(C)N2CCC(CC2)N(CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)C)C5=CC=NC=C5

Molecular formula: C37H42N4O3

Molecular weight: 590.80

InChIKey: LXZPQOOPDHQLLL-UHFFFAOYSA-N

InChI:

InChI=1S/C37H42N4O3/c1-26-23-32(30-14-18-38-19-15-30)24-27(2)35(26)36(42)39-20-13-28(3)40-21-16-34(17-22-40)41(25-29-7-5-4-6-8-29)33-11-9-31(10-12-33)37(43)44/h4-12,14-15,18-19,23-24,28,34H,13,16-17,20-22,25H2,1-3H3,(H,39,42)(H,43,44)

PubChem CID: 68974542 →

Synonyms

SCHEMBL4249206LXZPQOOPDHQLLL-UHFFFAOYSA-N4-(benzyl-{1-[3-(2,6-dimethyl-4-pyridin-4-yl-benzoylamino)-1-methyl-propyl]-piperidin-4-yl}-amino)-benzoic acid

Involved in 2 reactions→