3-[(4-tert-butylphenyl)methoxy]-3-(4-chlorophenyl)-2-propyl-isoindol-1-one

Systemtic Name: 3-[(4-tert-butylphenyl)methoxy]-3-(4-chlorophenyl)-2-propyl-isoindol-1-one Openeye Name: 3-[(4-tert-butylphenyl)methoxy]-3-(4-chlorophenyl)-2-propyl-isoindolin-1-one CAS Name: 3-[(4-tert-butylphenyl)methoxy]-3-(4-chlorophenyl)-2-propyl-1-isoindolone IUPAC Name: 3-[(4-tert-butylphenyl)methoxy]-3-(4-chlorophenyl)-2-propylisoindol-1-one Traditional Name: 3-(4-tert-butylbenzyl)oxy-3-(4-chlorophenyl)-2-propyl-isoindolin-1-one Formula: C28H30ClNO2 MolecularWeight: 447.9963

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H30ClNO2/c1-5-18-30-26(31)24-8-6-7-9-25(24)28(30,22-14-16-23(29)17-15-22)32-19-20-10-12-21(13-11-20)27(2,3)4/h6-17H,5,18-19H2,1-4H3