4-oxidanylidene-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3,6-dicarboxylic acid

Systemtic Name: 4-oxidanylidene-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3,6-dicarboxylic acid Openeye Name: 4-oxo-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3,6-dicarboxylic acid CAS Name: 4-oxo-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3,6-dicarboxylic acid IUPAC Name: 4-oxo-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3,6-dicarboxylic acid Traditional Name: 4-keto-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3,6-dicarboxylic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=NC=C(C(=O)N2C1C(=O)O)C(=O)O)CCCC3=CC=CC=C3

Isomeric SMILES

C1C(C2=NC=C(C(=O)N2C1C(=O)O)C(=O)O)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O5/c21-16-13(17(22)23)10-19-15-12(9-14(18(24)25)20(15)16)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14H,4,7-9H2,(H,22,23)(H,24,25)