2-pentoxypropyl 2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate

Systemtic Name: 2-pentoxypropyl 2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate Openeye Name: 2-pentoxypropyl 2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(1-hexyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinecarboxylic acid 2-pentoxypropyl ester IUPAC Name: 2-pentoxypropyl 2-(1-hexyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylic acid 2-amoxypropyl ester Formula: C31H42N2O3 MolecularWeight: 490.67678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)OCC(C)OCCCCC

Isomeric SMILES

CCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)OCC(C)OCCCCC

InChI

InChI=1S/C31H42N2O3/c1-4-6-8-12-18-31(19-16-27(17-20-31)26-14-10-9-11-15-26)30-32-22-28(23-33-30)29(34)36-24-25(3)35-21-13-7-5-2/h9-11,14-17,19-20,22-23,25,27H,4-8,12-13,18,21,24H2,1-3H3