5-bromanyl-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; 2-phenylethanoic acid

Systemtic Name: 5-bromanyl-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; 2-phenylethanoic acid Openeye Name: 5-bromo-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; 2-phenylacetic acid CAS Name: 5-bromo-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; 2-phenylacetic acid IUPAC Name: 5-bromo-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; 2-phenylacetic acid Traditional Name: 5-bromo-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrol[2,3-b]indol-7-ol; 2-phenylacetic acid Formula: C29H33BrN2O5 MolecularWeight: 569.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCN(C1N(C3=C(C=C(C=C23)O)Br)C)C.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CC12CCN(C1N(C3=C(C=C(C=C23)O)Br)C)C.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C13H17BrN2O.2C8H8O2/c1-13-4-5-15(2)12(13)16(3)11-9(13)6-8(17)7-10(11)14;2*9-8(10)6-7-4-2-1-3-5-7/h6-7,12,17H,4-5H2,1-3H3;2*1-5H,6H2,(H,9,10)