4-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 4-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]isoxazole-3-carboxylic acid CAS Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-3-isoxazolecarboxylic acid IUPAC Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]isoxazole-3-carboxylic acid Formula: C11H15N3O3 MolecularWeight: 237.2551

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CC2=CON=C2C(=O)O)N

Isomeric SMILES

C1CCC(=NC(C1)CC2=CON=C2C(=O)O)N

InChI

InChI=1S/C11H15N3O3/c12-9-4-2-1-3-8(13-9)5-7-6-17-14-10(7)11(15)16/h6,8H,1-5H2,(H2,12,13)(H,15,16)