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

Systemtic Name: [4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 4-phenylbutanoate Openeye Name: [4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 4-phenylbutanoate CAS Name: 4-phenylbutanoic 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 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid [4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl ester Formula: C30H30NO5+ MolecularWeight: 484.5629

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(COC(=O)CCCC2=CC=CC=C2)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[N+]1(COC(=O)CCCC2=CC=CC=C2)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H30NO5/c32-27-21-28(36-30-25(14-8-15-26(27)30)24-12-5-2-6-13-24)31(17-19-34-20-18-31)22-35-29(33)16-7-11-23-9-3-1-4-10-23/h1-6,8-10,12-15,21H,7,11,16-20,22H2/q+1