[4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxy-benzoate CAS Name: 3-cyano-4-nonoxybenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-cyano-4-nonoxybenzoate Traditional Name: 3-cyano-4-nonoxy-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)C#N

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)C#N

InChI

InChI=1S/C30H35N3O3/c1-3-5-6-7-8-9-10-18-35-28-17-14-25(19-26(28)20-31)30(34)36-27-15-12-24(13-16-27)29-32-21-23(11-4-2)22-33-29/h12-17,19,21-22H,3-11,18H2,1-2H3