(9-azanyl-5,6,7,8-tetrahydroacridin-1-yl) 2-phenylethaneperoxoate hydrate

Systemtic Name: (9-azanyl-5,6,7,8-tetrahydroacridin-1-yl) 2-phenylethaneperoxoate hydrate Openeye Name: (9-amino-5,6,7,8-tetrahydroacridin-1-yl) 2-phenylperoxyacetate hydrate CAS Name: 2-phenylethaneperoxoic acid (9-amino-5,6,7,8-tetrahydroacridin-1-yl) ester hydrate IUPAC Name: (9-amino-5,6,7,8-tetrahydroacridin-1-yl) 2-phenylethaneperoxoate hydrate Traditional Name: 2-phenylperacetic acid (9-amino-5,6,7,8-tetrahydroacridin-1-yl) ester hydrate Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C(=CC=C3)OOC(=O)CC4=CC=CC=C4)C(=C2C1)N.O

Isomeric SMILES

C1CCC2=NC3=C(C(=CC=C3)OOC(=O)CC4=CC=CC=C4)C(=C2C1)N.O

InChI

InChI=1S/C21H20N2O3.H2O/c22-21-15-9-4-5-10-16(15)23-17-11-6-12-18(20(17)21)25-26-19(24)13-14-7-2-1-3-8-14;/h1-3,6-8,11-12H,4-5,9-10,13H2,(H2,22,23);1H2