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

Systemtic Name: 2-butoxypropyl 2-(1-hexyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate Openeye Name: 2-butoxypropyl 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-butoxypropyl ester IUPAC Name: 2-butoxypropyl 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-butoxypropyl ester Formula: C30H40N2O3 MolecularWeight: 476.6502

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O3/c1-4-6-8-12-17-30(18-15-26(16-19-30)25-13-10-9-11-14-25)29-31-21-27(22-32-29)28(33)35-23-24(3)34-20-7-5-2/h9-11,13-16,18-19,21-22,24,26H,4-8,12,17,20,23H2,1-3H3