(4-heptoxyphenyl)methyl 4-(5-propylpyridin-2-yl)benzoate

Systemtic Name: (4-heptoxyphenyl)methyl 4-(5-propylpyridin-2-yl)benzoate Openeye Name: (4-heptoxyphenyl)methyl 4-(5-propyl-2-pyridyl)benzoate CAS Name: 4-(5-propyl-2-pyridinyl)benzoic acid (4-heptoxyphenyl)methyl ester IUPAC Name: (4-heptoxyphenyl)methyl 4-(5-propylpyridin-2-yl)benzoate Traditional Name: 4-(5-propyl-2-pyridyl)benzoic acid (4-heptoxybenzyl) ester Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)CCC

InChI

InChI=1S/C29H35NO3/c1-3-5-6-7-8-20-32-27-17-10-24(11-18-27)22-33-29(31)26-15-13-25(14-16-26)28-19-12-23(9-4-2)21-30-28/h10-19,21H,3-9,20,22H2,1-2H3