1-[(3aS)-3a-oxidanyl-1-(phenylmethyl)-2-propan-2-yl-7aH-indol-3-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[(3aS)-3a-oxidanyl-1-(phenylmethyl)-2-propan-2-yl-7aH-indol-3-yl]-3-methyl-butan-1-one Openeye Name: 1-[(3aS)-1-benzyl-3a-hydroxy-2-isopropyl-7aH-indol-3-yl]-3-methyl-butan-1-one CAS Name: 1-[(3aS)-3a-hydroxy-1-(phenylmethyl)-2-propan-2-yl-7aH-indol-3-yl]-3-methyl-1-butanone IUPAC Name: 1-[(3aS)-1-benzyl-3a-hydroxy-2-propan-2-yl-7aH-indol-3-yl]-3-methylbutan-1-one Traditional Name: 1-[(3aS)-1-benzyl-3a-hydroxy-2-isopropyl-7aH-indol-3-yl]-3-methyl-butan-1-one Formula: C23H29NO2 MolecularWeight: 351.48186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(N(C2C1(C=CC=C2)O)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)CC(=O)C1=C(N(C2[C@@]1(C=CC=C2)O)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C23H29NO2/c1-16(2)14-19(25)21-22(17(3)4)24(15-18-10-6-5-7-11-18)20-12-8-9-13-23(20,21)26/h5-13,16-17,20,26H,14-15H2,1-4H3/t20?,23-/m1/s1