2-[8-(3-bromophenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid

Systemtic Name: 2-[8-(3-bromophenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[8-(3-bromophenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[8-(3-bromophenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[8-(3-bromophenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[8-(3-bromophenyl)-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(CCO1)C3=C(N2)C(=CC=C3)C4=CC(=CC=C4)Br)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(N2)C(=CC=C3)C4=CC(=CC=C4)Br)CC(=O)O

InChI

InChI=1S/C22H22BrNO3/c1-2-10-22(13-19(25)26)21-18(9-11-27-22)17-8-4-7-16(20(17)24-21)14-5-3-6-15(23)12-14/h3-8,12,24H,2,9-11,13H2,1H3,(H,25,26)