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

Systemtic Name: 3-oxidanylidene-6-(phenethylamino)-2-phenyl-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid Openeye Name: 3-oxo-6-(phenethylamino)-2-phenyl-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid CAS Name: 3-oxo-6-(phenethylamino)-2-phenyl-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid IUPAC Name: 3-oxo-6-(phenethylamino)-2-phenyl-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid Traditional Name: 3-keto-6-(phenethylamino)-2-phenyl-1,4-diazabicyclo[3.1.1]hept-5-ene-7-carboxylic acid Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C3C(N2C(C(=O)N3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C3C(N2C(C(=O)N3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H19N3O3/c24-19-16(14-9-5-2-6-10-14)23-17(20(25)26)15(22-19)18(23)21-12-11-13-7-3-1-4-8-13/h1-10,16-17,21H,11-12H2,(H,22,24)(H,25,26)