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nonan-2-yl 2-[4-(4-octoxyphenyl)phenyl]pyrimidine-5-carboxylate

nonan-2-yl 2-[4-(4-octoxyphenyl)phenyl]pyrimidine-5-carboxylate

Systemtic Name:nonan-2-yl 2-[4-(4-octoxyphenyl)phenyl]pyrimidine-5-carboxylate
Openeye Name:1-methyloctyl 2-[4-(4-octoxyphenyl)phenyl]pyrimidine-5-carboxylate
CAS Name:2-[4-(4-octoxyphenyl)phenyl]-5-pyrimidinecarboxylic acid nonan-2-yl ester
IUPAC Name:nonan-2-yl 2-[4-(4-octoxyphenyl)phenyl]pyrimidine-5-carboxylate
Traditional Name:2-[4-(4-octoxyphenyl)phenyl]pyrimidine-5-carboxylic acid 1-methyloctyl ester
Formula: C34H46N2O3
MolecularWeight: 530.74064
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=O)OC(C)CCCCCCC


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=O)OC(C)CCCCCCC


InChI

InChI=1S/C34H46N2O3/c1-4-6-8-10-12-14-24-38-32-22-20-29(21-23-32)28-16-18-30(19-17-28)33-35-25-31(26-36-33)34(37)39-27(3)15-13-11-9-7-5-2/h16-23,25-27H,4-15,24H2,1-3H3


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