3-(1-butyl-9,9a-dihydro-4aH-pyrano[3,4-b]indol-1-yl)propanoic acid

Systemtic Name: 3-(1-butyl-9,9a-dihydro-4aH-pyrano[3,4-b]indol-1-yl)propanoic acid Openeye Name: 3-(1-butyl-9,9a-dihydro-4aH-pyrano[3,4-b]indol-1-yl)propanoic acid CAS Name: 3-(1-butyl-9,9a-dihydro-4aH-pyrano[3,4-b]indol-1-yl)propanoic acid IUPAC Name: 3-(1-butyl-9,9a-dihydro-4aH-pyrano[3,4-b]indol-1-yl)propanoic acid Traditional Name: 3-(1-butyl-9,9a-dihydro-4aH-pyran[3,4-b]indol-1-yl)propionic acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2C(C=CO1)C3=CC=CC=C3N2)CCC(=O)O

Isomeric SMILES

CCCCC1(C2C(C=CO1)C3=CC=CC=C3N2)CCC(=O)O

InChI

InChI=1S/C18H23NO3/c1-2-3-10-18(11-8-16(20)21)17-14(9-12-22-18)13-6-4-5-7-15(13)19-17/h4-7,9,12,14,17,19H,2-3,8,10-11H2,1H3,(H,20,21)