(3S,3aR,7aR)-3-[(E)-but-2-enyl]-1-(phenylmethyl)-2,3,3a,6,7,7a-hexahydroindole

Systemtic Name: (3S,3aR,7aR)-3-[(E)-but-2-enyl]-1-(phenylmethyl)-2,3,3a,6,7,7a-hexahydroindole Openeye Name: (3S,3aR,7aR)-1-benzyl-3-[(E)-but-2-enyl]-2,3,3a,6,7,7a-hexahydroindole CAS Name: (3S,3aR,7aR)-3-[(E)-but-2-enyl]-1-(phenylmethyl)-2,3,3a,6,7,7a-hexahydroindole IUPAC Name: (3S,3aR,7aR)-1-benzyl-3-[(E)-but-2-enyl]-2,3,3a,6,7,7a-hexahydroindole Traditional Name: (3S,3aR,7aR)-1-benzyl-3-[(E)-but-2-enyl]-2,3,3a,6,7,7a-hexahydroindole Formula: C19H25N MolecularWeight: 267.4085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCC1CN(C2C1C=CCC2)CC3=CC=CC=C3

Isomeric SMILES

C/C=C/C[C@@H]1CN([C@H]2[C@@H]1C=CCC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N/c1-2-3-11-17-15-20(14-16-9-5-4-6-10-16)19-13-8-7-12-18(17)19/h2-7,9-10,12,17-19H,8,11,13-15H2,1H3/b3-2+/t17-,18-,19-/m1/s1