3-chloranyl-4-[2-cyclopropyl-4-methyl-4-(3-methylphenyl)-2-oxidanyl-pentyl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[2-cyclopropyl-4-methyl-4-(3-methylphenyl)-2-oxidanyl-pentyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[2-cyclopropyl-2-hydroxy-4-methyl-4-(m-tolyl)pentyl]benzonitrile CAS Name: 3-chloro-4-[2-cyclopropyl-2-hydroxy-4-methyl-4-(3-methylphenyl)pentyl]benzonitrile IUPAC Name: 3-chloro-4-[2-cyclopropyl-2-hydroxy-4-methyl-4-(3-methylphenyl)pentyl]benzonitrile Traditional Name: 3-chloro-4-[2-cyclopropyl-2-hydroxy-4-methyl-4-(m-tolyl)pentyl]benzonitrile Formula: C23H26ClNO MolecularWeight: 367.91164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C)(C)CC(CC2=C(C=C(C=C2)C#N)Cl)(C3CC3)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C)(C)CC(CC2=C(C=C(C=C2)C#N)Cl)(C3CC3)O

InChI

InChI=1S/C23H26ClNO/c1-16-5-4-6-20(11-16)22(2,3)15-23(26,19-9-10-19)13-18-8-7-17(14-25)12-21(18)24/h4-8,11-12,19,26H,9-10,13,15H2,1-3H3