1-[2-(1-pentoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl pentanoate

Systemtic Name: 1-[2-(1-pentoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl pentanoate Openeye Name: [1-methyl-2-[2-(1-pentoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-ethyl] pentanoate CAS Name: pentanoic acid 1-[[2-(1-pentoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(1-pentoxy-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxypropan-2-yl pentanoate Traditional Name: valeric acid [2-[2-(1-amoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C29H38N2O4 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C29H38N2O4/c1-4-6-11-19-34-29(17-15-25(16-18-29)24-12-9-8-10-13-24)28-30-20-26(21-31-28)33-22-23(3)35-27(32)14-7-5-2/h8-10,12-13,15-18,20-21,23,25H,4-7,11,14,19,22H2,1-3H3