4-oxidanylidene-3-(3-phenylpropanoylamino)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(3-phenylpropanoylamino)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxylic acid Openeye Name: 4-oxo-3-(3-phenylpropanoylamino)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxylic acid CAS Name: 4-oxo-3-[(1-oxo-3-phenylpropyl)amino]-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxylic acid IUPAC Name: 4-oxo-3-(3-phenylpropanoylamino)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxylic acid Traditional Name: 3-(hydrocinnamoylamino)-4-keto-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxylic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2N(C1)C(=O)C(=CN2C(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC2N(C1)C(=O)C(=CN2C(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O4/c21-14(9-8-12-5-2-1-3-6-12)18-13-11-20(17(23)24)15-7-4-10-19(15)16(13)22/h1-3,5-6,11,15H,4,7-10H2,(H,18,21)(H,23,24)