N-methyl-1,3-benzoxazol-2-amine; phenyl (Z)-2,3-diethoxybut-2-enoate

Systemtic Name: N-methyl-1,3-benzoxazol-2-amine; phenyl (Z)-2,3-diethoxybut-2-enoate Openeye Name: N-methyl-1,3-benzoxazol-2-amine; phenyl (Z)-2,3-diethoxybut-2-enoate CAS Name: (Z)-2,3-diethoxy-2-butenoic acid phenyl ester; N-methyl-1,3-benzoxazol-2-amine IUPAC Name: N-methyl-1,3-benzoxazol-2-amine; phenyl (Z)-2,3-diethoxybut-2-enoate Traditional Name: 1,3-benzoxazol-2-yl(methyl)amine; (Z)-2,3-diethoxybut-2-enoic acid phenyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)OC1=CC=CC=C1)OCC)C.CNC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCO/C(=C(/C(=O)OC1=CC=CC=C1)\OCC)/C.CNC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C14H18O4.C8H8N2O/c1-4-16-11(3)13(17-5-2)14(15)18-12-9-7-6-8-10-12;1-9-8-10-6-4-2-3-5-7(6)11-8/h6-10H,4-5H2,1-3H3;2-5H,1H3,(H,9,10)/b13-11-;