(Z)-2-[2-(oxan-2-yloxy)-1-[(phenylmethyl)amino]ethyl]but-2-enedioate

Systemtic Name: (Z)-2-[2-(oxan-2-yloxy)-1-[(phenylmethyl)amino]ethyl]but-2-enedioate Openeye Name: (Z)-2-[1-(benzylamino)-2-tetrahydropyran-2-yloxy-ethyl]but-2-enedioate CAS Name: (Z)-2-[2-(2-oxanyloxy)-1-[(phenylmethyl)amino]ethyl]-2-butenedioate IUPAC Name: (Z)-2-[1-(benzylamino)-2-(oxan-2-yloxy)ethyl]but-2-enedioate Traditional Name: (Z)-2-[1-(benzylamino)-2-tetrahydropyran-2-yloxy-ethyl]but-2-enedioate Formula: C18H21NO6-2 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC(C(=CC(=O)[O-])C(=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

C1CCOC(C1)OCC(/C(=C/C(=O)[O-])/C(=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C18H23NO6/c20-16(21)10-14(18(22)23)15(12-25-17-8-4-5-9-24-17)19-11-13-6-2-1-3-7-13/h1-3,6-7,10,15,17,19H,4-5,8-9,11-12H2,(H,20,21)(H,22,23)/p-2/b14-10-