2-(5-bromanyl-8-chloranyl-6-methyl-1-phenyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(5-bromanyl-8-chloranyl-6-methyl-1-phenyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(5-bromo-8-chloro-6-methyl-1-phenyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-bromo-8-chloro-6-methyl-1-phenyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-bromo-8-chloro-6-methyl-1-phenyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(5-bromo-8-chloro-6-methyl-1-phenyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C20H17BrClNO3 MolecularWeight: 434.71088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1Br)C3=C(N2)C(OCC3)(CC(=O)O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C2C(=C1Br)C3=C(N2)C(OCC3)(CC(=O)O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H17BrClNO3/c1-11-9-14(22)18-16(17(11)21)13-7-8-26-20(10-15(24)25,19(13)23-18)12-5-3-2-4-6-12/h2-6,9,23H,7-8,10H2,1H3,(H,24,25)