3-oxidanylidene-2-phenethyl-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-phenethyl-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid Openeye Name: 3-oxo-2-phenethyl-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid CAS Name: 3-oxo-2-phenethyl-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid IUPAC Name: 3-oxo-2-phenethyl-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid Traditional Name: 3-keto-2-phenethyl-6-(phenethylamino)-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2C(=O)NC3=C(N2C3C(=O)O)NCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2C(=O)NC3=C(N2C3C(=O)O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c26-21-17(12-11-15-7-3-1-4-8-15)25-19(22(27)28)18(24-21)20(25)23-14-13-16-9-5-2-6-10-16/h1-10,17,19,23H,11-14H2,(H,24,26)(H,27,28)