[2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-butoxypropanoate

Systemtic Name: [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-butoxypropanoate Openeye Name: [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid [2-(1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl] ester IUPAC Name: [2-(1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C30H40N2O3 MolecularWeight: 476.6502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCC

InChI

InChI=1S/C30H40N2O3/c1-4-6-8-9-13-18-30(19-16-26(17-20-30)25-14-11-10-12-15-25)29-31-22-27(23-32-29)35-28(33)24(3)34-21-7-5-2/h10-12,14-17,19-20,22-24,26H,4-9,13,18,21H2,1-3H3