diethyl (E)-2-butyl-3-phenylazanyl-but-2-enedioate

Systemtic Name: diethyl (E)-2-butyl-3-phenylazanyl-but-2-enedioate Openeye Name: diethyl (E)-2-anilino-3-butyl-but-2-enedioate CAS Name: (E)-2-anilino-3-butyl-2-butenedioic acid diethyl ester IUPAC Name: diethyl (E)-2-anilino-3-butylbut-2-enedioate Traditional Name: (E)-2-anilino-3-butyl-but-2-enedioic acid diethyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C(=O)OCC)NC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCCC/C(=C(/C(=O)OCC)\NC1=CC=CC=C1)/C(=O)OCC

InChI

InChI=1S/C18H25NO4/c1-4-7-13-15(17(20)22-5-2)16(18(21)23-6-3)19-14-11-9-8-10-12-14/h8-12,19H,4-7,13H2,1-3H3/b16-15+