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

Systemtic Name: 2-[(1S)-8-chloranyl-5-cyano-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[(1S)-8-chloro-5-cyano-1-isopropyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[(1S)-8-chloro-5-cyano-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[(1S)-8-chloro-5-cyano-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[(1S)-8-chloro-5-cyano-1-isopropyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C2=C(CCO1)C3=C(C=CC(=C3N2)Cl)C#N)CC(=O)O

Isomeric SMILES

CC(C)[C@]1(C2=C(CCO1)C3=C(C=CC(=C3N2)Cl)C#N)CC(=O)O

InChI

InChI=1S/C17H17ClN2O3/c1-9(2)17(7-13(21)22)16-11(5-6-23-17)14-10(8-19)3-4-12(18)15(14)20-16/h3-4,9,20H,5-7H2,1-2H3,(H,21,22)/t17-/m0/s1