[2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 4-methylhexanoate

Systemtic Name: [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 4-methylhexanoate Openeye Name: [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(1-hexoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl] ester IUPAC Name: [2-(1-hexoxy-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)CCC(C)CC

InChI

InChI=1S/C29H38N2O3/c1-4-6-7-11-20-33-29(18-16-25(17-19-29)24-12-9-8-10-13-24)28-30-21-26(22-31-28)34-27(32)15-14-23(3)5-2/h8-10,12-13,16-19,21-23,25H,4-7,11,14-15,20H2,1-3H3