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

Systemtic Name: 2-(5-bromanyl-8-chloranyl-6-methyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(5-bromo-8-chloro-1-isopropyl-6-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-bromo-8-chloro-6-methyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-bromo-8-chloro-6-methyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(5-bromo-8-chloro-1-isopropyl-6-methyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C17H19BrClNO3 MolecularWeight: 400.69466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrClNO3/c1-8(2)17(7-12(21)22)16-10(4-5-23-17)13-14(18)9(3)6-11(19)15(13)20-16/h6,8,20H,4-5,7H2,1-3H3,(H,21,22)