[4-[5-(9-methylundecyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate

Systemtic Name: [4-[5-(9-methylundecyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate Openeye Name: [4-[5-(9-methylundecyl)pyrimidin-2-yl]phenyl] 4-(1-methylheptoxy)benzoate CAS Name: 4-octan-2-yloxybenzoic acid [4-[5-(9-methylundecyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(9-methylundecyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate Traditional Name: 4-(1-methylheptoxy)benzoic acid [4-[5-(9-methylundecyl)pyrimidin-2-yl]phenyl] ester Formula: C37H52N2O3 MolecularWeight: 572.82038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCCC(C)CC

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCCC(C)CC

InChI

InChI=1S/C37H52N2O3/c1-5-7-8-14-17-30(4)41-34-25-21-33(22-26-34)37(40)42-35-23-19-32(20-24-35)36-38-27-31(28-39-36)18-15-12-10-9-11-13-16-29(3)6-2/h19-30H,5-18H2,1-4H3