[4-(5-octylpyrimidin-2-yl)phenyl] 4-[(2S)-2-methoxypropanoyl]oxybenzoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-[(2S)-2-methoxypropanoyl]oxybenzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-[(2S)-2-methoxypropanoyl]oxybenzoate CAS Name: 4-[(2S)-2-methoxy-1-oxopropoxy]benzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-[(2S)-2-methoxypropanoyl]oxybenzoate Traditional Name: 4-[(2S)-2-methoxypropanoyl]oxybenzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(=O)C(C)OC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(=O)[C@H](C)OC

InChI

InChI=1S/C29H34N2O5/c1-4-5-6-7-8-9-10-22-19-30-27(31-20-22)23-11-15-26(16-12-23)36-29(33)24-13-17-25(18-14-24)35-28(32)21(2)34-3/h11-21H,4-10H2,1-3H3/t21-/m0/s1