2-[5,8-bis(chloranyl)-1-(4-methylpentyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5,8-bis(chloranyl)-1-(4-methylpentyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-(5,8-dichloro-1-isohexyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-[5,8-dichloro-1-(4-methylpentyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[5,8-dichloro-1-(4-methylpentyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-(5,8-dichloro-1-isohexyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C19H23Cl2NO3 MolecularWeight: 384.29682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1(C2=C(CCO1)C3=C(C=CC(=C3N2)Cl)Cl)CC(=O)O

Isomeric SMILES

CC(C)CCCC1(C2=C(CCO1)C3=C(C=CC(=C3N2)Cl)Cl)CC(=O)O

InChI

InChI=1S/C19H23Cl2NO3/c1-11(2)4-3-8-19(10-15(23)24)18-12(7-9-25-19)16-13(20)5-6-14(21)17(16)22-18/h5-6,11,22H,3-4,7-10H2,1-2H3,(H,23,24)