2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanol; 4-azanylbenzoic acid

Systemtic Name: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanol; 4-azanylbenzoic acid Openeye Name: 4-aminobenzoic acid; 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanol CAS Name: 4-aminobenzoic acid; 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanol IUPAC Name: 4-aminobenzoic acid; 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanol Traditional Name: 4-aminobenzoic acid; quinolizidin-1-ylmethanol Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2CCCC(C2C1)CO.C1=CC(=CC=C1C(=O)O)N

Isomeric SMILES

C1CCN2CCCC(C2C1)CO.C1=CC(=CC=C1C(=O)O)N

InChI

InChI=1S/C10H19NO.C7H7NO2/c12-8-9-4-3-7-11-6-2-1-5-10(9)11;8-6-3-1-5(2-4-6)7(9)10/h9-10,12H,1-8H2;1-4H,8H2,(H,9,10)