2-[5-(4-bromophenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-(4-bromophenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[5-(4-bromophenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[5-(4-bromophenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5-(4-bromophenyl)-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[5-(4-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(C=CC=C3N2)C4=CC=C(C=C4)Br)CC(=O)O

Isomeric SMILES

CCCC1(C2=C(CCO1)C3=C(C=CC=C3N2)C4=CC=C(C=C4)Br)CC(=O)O

InChI

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