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

Systemtic Name: [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [2-(1-octyl-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-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl] ester IUPAC Name: [2-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C30H39ClN2O2 MolecularWeight: 495.09586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C30H39ClN2O2/c1-4-6-7-8-9-13-18-30(19-16-25(17-20-30)24-14-11-10-12-15-24)29-32-21-26(22-33-29)35-28(34)27(31)23(3)5-2/h10-12,14-17,19-23,25,27H,4-9,13,18H2,1-3H3