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

Systemtic Name: 2-[8-chloranyl-5-cyano-6-methyl-1-[(E)-pent-3-enyl]-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[8-chloro-5-cyano-6-methyl-1-[(E)-pent-3-enyl]-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[8-chloro-5-cyano-6-methyl-1-[(E)-pent-3-enyl]-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[8-chloro-5-cyano-6-methyl-1-[(E)-pent-3-enyl]-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[8-chloro-5-cyano-6-methyl-1-[(E)-pent-3-enyl]-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/CCC1(C2=C(CCO1)C3=C(C(=CC(=C3N2)Cl)C)C#N)CC(=O)O

InChI

InChI=1S/C20H21ClN2O3/c1-3-4-5-7-20(10-16(24)25)19-13(6-8-26-20)17-14(11-22)12(2)9-15(21)18(17)23-19/h3-4,9,23H,5-8,10H2,1-2H3,(H,24,25)/b4-3+