(Z)-2-[3-(cyclohex-3-en-1-ylmethoxy)-2-oxidanyl-1-[(phenylmethyl)amino]propyl]but-2-enedioate

Systemtic Name: (Z)-2-[3-(cyclohex-3-en-1-ylmethoxy)-2-oxidanyl-1-[(phenylmethyl)amino]propyl]but-2-enedioate Openeye Name: (Z)-2-[1-(benzylamino)-3-(cyclohex-3-en-1-ylmethoxy)-2-hydroxy-propyl]but-2-enedioate CAS Name: (Z)-2-[3-(1-cyclohex-3-enylmethoxy)-2-hydroxy-1-[(phenylmethyl)amino]propyl]-2-butenedioate IUPAC Name: (Z)-2-[1-(benzylamino)-3-(cyclohex-3-en-1-ylmethoxy)-2-hydroxypropyl]but-2-enedioate Traditional Name: (Z)-2-[1-(benzylamino)-3-(cyclohex-3-en-1-ylmethoxy)-2-hydroxy-propyl]but-2-enedioate Formula: C21H25NO6-2 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)COCC(C(C(=CC(=O)[O-])C(=O)[O-])NCC2=CC=CC=C2)O

Isomeric SMILES

C1CC(CC=C1)COCC(C(/C(=C/C(=O)[O-])/C(=O)[O-])NCC2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO6/c23-18(14-28-13-16-9-5-2-6-10-16)20(17(21(26)27)11-19(24)25)22-12-15-7-3-1-4-8-15/h1-5,7-8,11,16,18,20,22-23H,6,9-10,12-14H2,(H,24,25)(H,26,27)/p-2/b17-11-