[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 3-phenylpropanoate

Systemtic Name: [4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 3-phenylpropanoate Openeye Name: [4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [4-(4-oxo-8-phenyl-1-benzopyran-2-yl)-4-morpholin-4-iumyl]methyl ester IUPAC Name: [4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl ester Formula: C29H28NO5+ MolecularWeight: 470.53632

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(COC(=O)CCC2=CC=CC=C2)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[N+]1(COC(=O)CCC2=CC=CC=C2)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28NO5/c31-26-20-27(35-29-24(12-7-13-25(26)29)23-10-5-2-6-11-23)30(16-18-33-19-17-30)21-34-28(32)15-14-22-8-3-1-4-9-22/h1-13,20H,14-19,21H2/q+1