4-[8-bromanyl-1-(carboxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid

Systemtic Name: 4-[8-bromanyl-1-(carboxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid Openeye Name: 4-[8-bromo-1-(carboxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid CAS Name: 4-[8-bromo-1-(carboxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid IUPAC Name: 4-[8-bromo-1-(carboxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid Traditional Name: 4-[8-bromo-1-(carboxymethyl)-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]benzoic acid Formula: C20H16BrNO5 MolecularWeight: 430.24874

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C3=C(N2)C(=CC=C3)Br)(CC(=O)O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COC(C2=C1C3=C(N2)C(=CC=C3)Br)(CC(=O)O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H16BrNO5/c21-15-3-1-2-13-14-8-9-27-20(10-16(23)24,18(14)22-17(13)15)12-6-4-11(5-7-12)19(25)26/h1-7,22H,8-10H2,(H,23,24)(H,25,26)