2-[[4-[2-[3-phenylpropyl-(4-pyridin-2-ylphenyl)carbonyl-amino]ethoxy]phenyl]methyl]hexanoate

Systemtic Name: 2-[[4-[2-[3-phenylpropyl-(4-pyridin-2-ylphenyl)carbonyl-amino]ethoxy]phenyl]methyl]hexanoate Openeye Name: 2-[[4-[2-[3-phenylpropyl-[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]methyl]hexanoate CAS Name: 2-[[4-[2-[[oxo-[4-(2-pyridinyl)phenyl]methyl]-(3-phenylpropyl)amino]ethoxy]phenyl]methyl]hexanoate IUPAC Name: 2-[[4-[2-[3-phenylpropyl-(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]methyl]hexanoate Traditional Name: 2-[4-[2-[3-phenylpropyl-[4-(2-pyridyl)benzoyl]amino]ethoxy]benzyl]hexanoate Formula: C36H39N2O4- MolecularWeight: 563.70586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=C(C=C1)OCCN(CCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=N4)C(=O)[O-]

Isomeric SMILES

CCCCC(CC1=CC=C(C=C1)OCCN(CCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=N4)C(=O)[O-]

InChI

InChI=1S/C36H40N2O4/c1-2-3-13-32(36(40)41)27-29-15-21-33(22-16-29)42-26-25-38(24-9-12-28-10-5-4-6-11-28)35(39)31-19-17-30(18-20-31)34-14-7-8-23-37-34/h4-8,10-11,14-23,32H,2-3,9,12-13,24-27H2,1H3,(H,40,41)/p-1