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

Systemtic Name: 5-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-4,5-dihydroisoxazole-3-carboxylic acid CAS Name: 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-4,5-dihydroisoxazole-3-carboxylic acid IUPAC Name: 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-2-isoxazoline-3-carboxylic acid Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CC2CC(=NO2)C(=O)O)N

Isomeric SMILES

C1CCC(=NC(C1)CC2CC(=NO2)C(=O)O)N

InChI

InChI=1S/C11H17N3O3/c12-10-4-2-1-3-7(13-10)5-8-6-9(11(15)16)14-17-8/h7-8H,1-6H2,(H2,12,13)(H,15,16)