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

Systemtic Name: 2-[(1S)-8-chloranyl-5-ethyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid Openeye Name: 2-[(1S)-8-chloro-5-ethyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid CAS Name: 2-[(1S)-8-chloro-5-ethyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid IUPAC Name: 2-[(1S)-8-chloro-5-ethyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid Traditional Name: 2-[(1S)-8-chloro-5-ethyl-1-propyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl]acetic acid Formula: C18H22ClNO3 MolecularWeight: 335.82518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO3/c1-3-8-18(10-14(21)22)17-12(7-9-23-18)15-11(4-2)5-6-13(19)16(15)20-17/h5-6,20H,3-4,7-10H2,1-2H3,(H,21,22)/t18-/m0/s1