[2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic 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-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C29H37ClN2O2 MolecularWeight: 481.06928

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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(C)CC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H37ClN2O2/c1-4-6-7-8-12-17-29(18-15-24(16-19-29)23-13-10-9-11-14-23)28-31-20-25(21-32-28)34-27(33)26(30)22(3)5-2/h9-11,13-16,18-22,24,26H,4-8,12,17H2,1-3H3