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

Systemtic Name: 1-[(3aS)-3a-oxidanyl-1-(phenylmethyl)-2-propan-2-yl-7aH-indol-3-yl]butan-1-one Openeye Name: 1-[(3aS)-1-benzyl-3a-hydroxy-2-isopropyl-7aH-indol-3-yl]butan-1-one CAS Name: 1-[(3aS)-3a-hydroxy-1-(phenylmethyl)-2-propan-2-yl-7aH-indol-3-yl]-1-butanone IUPAC Name: 1-[(3aS)-1-benzyl-3a-hydroxy-2-propan-2-yl-7aH-indol-3-yl]butan-1-one Traditional Name: 1-[(3aS)-1-benzyl-3a-hydroxy-2-isopropyl-7aH-indol-3-yl]butan-1-one Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO2/c1-4-10-18(24)20-21(16(2)3)23(15-17-11-6-5-7-12-17)19-13-8-9-14-22(19,20)25/h5-9,11-14,16,19,25H,4,10,15H2,1-3H3/t19?,22-/m1/s1