2-(4-methoxyphenyl)-3-(phenylcarbonyl)indolizine-7-carboxylate hydrate

Systemtic Name: 2-(4-methoxyphenyl)-3-(phenylcarbonyl)indolizine-7-carboxylate hydrate Openeye Name: 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate hydrate CAS Name: 3-benzoyl-2-(4-methoxyphenyl)-7-indolizinecarboxylate hydrate IUPAC Name: 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate hydrate Traditional Name: 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate hydrate Formula: C23H18NO5- MolecularWeight: 388.39272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.O

InChI

InChI=1S/C23H17NO4.H2O/c1-28-19-9-7-15(8-10-19)20-14-18-13-17(23(26)27)11-12-24(18)21(20)22(25)16-5-3-2-4-6-16;/h2-14H,1H3,(H,26,27);1H2/p-1