2-ethyl-7-methoxy-3-(phenylmethyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole

Systemtic Name: 2-ethyl-7-methoxy-3-(phenylmethyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole Openeye Name: 3-benzyl-2-ethyl-7-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole CAS Name: 2-ethyl-7-methoxy-3-(phenylmethyl)-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole IUPAC Name: 3-benzyl-2-ethyl-7-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole Traditional Name: 3-benzyl-2-ethyl-7-methoxy-1,3,3a,4,5,9b-hexahydrobenz[e]isoindole Formula: C22H27NO MolecularWeight: 321.45588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2C(C1CC3=CC=CC=C3)CCC4=C2C=CC(=C4)OC

Isomeric SMILES

CCN1CC2C(C1CC3=CC=CC=C3)CCC4=C2C=CC(=C4)OC

InChI

InChI=1S/C22H27NO/c1-3-23-15-21-19-12-10-18(24-2)14-17(19)9-11-20(21)22(23)13-16-7-5-4-6-8-16/h4-8,10,12,14,20-22H,3,9,11,13,15H2,1-2H3