2-phenyl-3-(phenylcarbonyl)indolizine-7-carboxylate hydrate

Systemtic Name: 2-phenyl-3-(phenylcarbonyl)indolizine-7-carboxylate hydrate Openeye Name: 3-benzoyl-2-phenyl-indolizine-7-carboxylate hydrate CAS Name: 3-benzoyl-2-phenyl-7-indolizinecarboxylate hydrate IUPAC Name: 3-benzoyl-2-phenylindolizine-7-carboxylate hydrate Traditional Name: 3-benzoyl-2-phenyl-indolizine-7-carboxylate hydrate Formula: C22H16NO4- MolecularWeight: 358.36674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.O

InChI

InChI=1S/C22H15NO3.H2O/c24-21(16-9-5-2-6-10-16)20-19(15-7-3-1-4-8-15)14-18-13-17(22(25)26)11-12-23(18)20;/h1-14H,(H,25,26);1H2/p-1