diethyl 2-[[[4-(1,3-benzoxazol-2-yl)phenyl]-butyl-amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[4-(1,3-benzoxazol-2-yl)phenyl]-butyl-amino]methylidene]propanedioate Openeye Name: diethyl 2-[[4-(1,3-benzoxazol-2-yl)-N-butyl-anilino]methylene]propanedioate CAS Name: 2-[[4-(1,3-benzoxazol-2-yl)-N-butylanilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(1,3-benzoxazol-2-yl)-N-butylanilino]methylidene]propanedioate Traditional Name: 2-[[4-(1,3-benzoxazol-2-yl)-N-butyl-anilino]methylene]malonic acid diethyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C=C(C(=O)OCC)C(=O)OCC)C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCN(C=C(C(=O)OCC)C(=O)OCC)C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C25H28N2O5/c1-4-7-16-27(17-20(24(28)30-5-2)25(29)31-6-3)19-14-12-18(13-15-19)23-26-21-10-8-9-11-22(21)32-23/h8-15,17H,4-7,16H2,1-3H3