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

Systemtic Name: 2-(5-chloranyl-1-cyclobutyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(5-chloro-1-cyclobutyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(5-chloro-1-cyclobutyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(5-chloro-1-cyclobutyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(5-chloro-1-cyclobutyl-8-methyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)C3=C(N2)C(OCC3)(CC(=O)O)C4CCC4

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)C3=C(N2)C(OCC3)(CC(=O)O)C4CCC4

InChI

InChI=1S/C18H20ClNO3/c1-10-5-6-13(19)15-12-7-8-23-18(9-14(21)22,11-3-2-4-11)17(12)20-16(10)15/h5-6,11,20H,2-4,7-9H2,1H3,(H,21,22)