3-(3,4-dicyclohexyloxyphenyl)-3-(3-oxidanylidene-1H-benzo[f]isoindol-2-yl)propanamide

Systemtic Name: 3-(3,4-dicyclohexyloxyphenyl)-3-(3-oxidanylidene-1H-benzo[f]isoindol-2-yl)propanamide Openeye Name: 3-[3,4-bis(cyclohexoxy)phenyl]-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanamide CAS Name: 3-(3,4-dicyclohexyloxyphenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanamide IUPAC Name: 3-(3,4-dicyclohexyloxyphenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanamide Traditional Name: 3-[3,4-bis(cyclohexoxy)phenyl]-3-(3-keto-1H-benz[f]isoindol-2-yl)propionamide Formula: C33H38N2O4 MolecularWeight: 526.66582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=C(C=C(C=C2)C(CC(=O)N)N3CC4=CC5=CC=CC=C5C=C4C3=O)OC6CCCCC6

Isomeric SMILES

C1CCC(CC1)OC2=C(C=C(C=C2)C(CC(=O)N)N3CC4=CC5=CC=CC=C5C=C4C3=O)OC6CCCCC6

InChI

InChI=1S/C33H38N2O4/c34-32(36)20-29(35-21-25-17-22-9-7-8-10-23(22)18-28(25)33(35)37)24-15-16-30(38-26-11-3-1-4-12-26)31(19-24)39-27-13-5-2-6-14-27/h7-10,15-19,26-27,29H,1-6,11-14,20-21H2,(H2,34,36)