[4-[5-(7-methylnonyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate

Systemtic Name: [4-[5-(7-methylnonyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate Openeye Name: [4-[5-(7-methylnonyl)pyrimidin-2-yl]phenyl] 4-(1-methylheptoxy)benzoate CAS Name: 4-octan-2-yloxybenzoic acid [4-[5-(7-methylnonyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(7-methylnonyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate Traditional Name: 4-(1-methylheptoxy)benzoic acid [4-[5-(7-methylnonyl)pyrimidin-2-yl]phenyl] ester Formula: C35H48N2O3 MolecularWeight: 544.76722

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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)CCCCCCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C35H48N2O3/c1-5-7-8-12-15-28(4)39-32-23-19-31(20-24-32)35(38)40-33-21-17-30(18-22-33)34-36-25-29(26-37-34)16-13-10-9-11-14-27(3)6-2/h17-28H,5-16H2,1-4H3