2-(6-chloranyl-2-propan-2-yl-cyclohexa-1,5-dien-1-yl)-2-(3-phenoxyphenyl)ethanenitrile

Systemtic Name: 2-(6-chloranyl-2-propan-2-yl-cyclohexa-1,5-dien-1-yl)-2-(3-phenoxyphenyl)ethanenitrile Openeye Name: 2-(6-chloro-2-isopropyl-cyclohexa-1,5-dien-1-yl)-2-(3-phenoxyphenyl)acetonitrile CAS Name: 2-(6-chloro-2-propan-2-yl-1-cyclohexa-1,5-dienyl)-2-(3-phenoxyphenyl)acetonitrile IUPAC Name: 2-(6-chloro-2-propan-2-ylcyclohexa-1,5-dien-1-yl)-2-(3-phenoxyphenyl)acetonitrile Traditional Name: 2-(6-chloro-2-isopropyl-cyclohexa-1,5-dien-1-yl)-2-(3-phenoxyphenyl)acetonitrile Formula: C23H22ClNO MolecularWeight: 363.87988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CCC1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C(=CCC1)Cl)C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H22ClNO/c1-16(2)20-12-7-13-22(24)23(20)21(15-25)17-8-6-11-19(14-17)26-18-9-4-3-5-10-18/h3-6,8-11,13-14,16,21H,7,12H2,1-2H3