4-[1-(carboxymethyl)-5,6-bis(chloranyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid

Systemtic Name: 4-[1-(carboxymethyl)-5,6-bis(chloranyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid Openeye Name: 4-[1-(carboxymethyl)-5,6-dichloro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid CAS Name: 4-[1-(carboxymethyl)-5,6-dichloro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid IUPAC Name: 4-[1-(carboxymethyl)-5,6-dichloro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]benzoic acid Traditional Name: 4-[1-(carboxymethyl)-5,6-dichloro-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]benzoic acid Formula: C20H15Cl2NO5 MolecularWeight: 420.2428

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C3=C(N2)C=CC(=C3Cl)Cl)(CC(=O)O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COC(C2=C1C3=C(N2)C=CC(=C3Cl)Cl)(CC(=O)O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H15Cl2NO5/c21-13-5-6-14-16(17(13)22)12-7-8-28-20(9-15(24)25,18(12)23-14)11-3-1-10(2-4-11)19(26)27/h1-6,23H,7-9H2,(H,24,25)(H,26,27)