methyl 2-(4-ethanoyl-3-methoxy-phenoxy)ethanoate; 3-pyridin-4-yl-1,4-diazabicyclo[2.2.0]hexane

Systemtic Name: methyl 2-(4-ethanoyl-3-methoxy-phenoxy)ethanoate; 3-pyridin-4-yl-1,4-diazabicyclo[2.2.0]hexane Openeye Name: methyl 2-(4-acetyl-3-methoxy-phenoxy)acetate; 3-(4-pyridyl)-1,4-diazabicyclo[2.2.0]hexane CAS Name: 2-(4-acetyl-3-methoxyphenoxy)acetic acid methyl ester; 3-pyridin-4-yl-1,4-diazabicyclo[2.2.0]hexane IUPAC Name: methyl 2-(4-acetyl-3-methoxyphenoxy)acetate; 3-pyridin-4-yl-1,4-diazabicyclo[2.2.0]hexane Traditional Name: 2-(4-acetyl-3-methoxy-phenoxy)acetic acid methyl ester; 3-(4-pyridyl)-1,4-diazabicyclo[2.2.0]hexane Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC(=O)OC)OC.C1CN2N1CC2C3=CC=NC=C3

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC(=O)OC)OC.C1CN2N1CC2C3=CC=NC=C3

InChI

InChI=1S/C12H14O5.C9H11N3/c1-8(13)10-5-4-9(6-11(10)15-2)17-7-12(14)16-3;1-3-10-4-2-8(1)9-7-11-5-6-12(9)11/h4-6H,7H2,1-3H3;1-4,9H,5-7H2