5-(pyridin-2-ylmethylamino)-2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonyl-decanoic acid

Systemtic Name: 5-(pyridin-2-ylmethylamino)-2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]carbonyl-decanoic acid Openeye Name: 5-(2-pyridylmethylamino)-2-[4-[(2-pyridylmethylamino)methyl]benzoyl]decanoic acid CAS Name: 2-[oxo-[4-[(2-pyridinylmethylamino)methyl]phenyl]methyl]-5-(2-pyridinylmethylamino)decanoic acid IUPAC Name: 5-(pyridin-2-ylmethylamino)-2-[4-[(pyridin-2-ylmethylamino)methyl]benzoyl]decanoic acid Traditional Name: 5-(2-pyridylmethylamino)-2-[4-[(2-pyridylmethylamino)methyl]benzoyl]capric acid Formula: C30H38N4O3 MolecularWeight: 502.64772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(C(=O)C1=CC=C(C=C1)CNCC2=CC=CC=N2)C(=O)O)NCC3=CC=CC=N3

Isomeric SMILES

CCCCCC(CCC(C(=O)C1=CC=C(C=C1)CNCC2=CC=CC=N2)C(=O)O)NCC3=CC=CC=N3

InChI

InChI=1S/C30H38N4O3/c1-2-3-4-9-25(34-22-27-11-6-8-19-33-27)16-17-28(30(36)37)29(35)24-14-12-23(13-15-24)20-31-21-26-10-5-7-18-32-26/h5-8,10-15,18-19,25,28,31,34H,2-4,9,16-17,20-22H2,1H3,(H,36,37)