(Z)-4-[3-(cyclohexylamino)-2-oxidanyl-1-[(phenylmethyl)amino]propoxy]-4-oxidanylidene-but-2-enoate

Systemtic Name: (Z)-4-[3-(cyclohexylamino)-2-oxidanyl-1-[(phenylmethyl)amino]propoxy]-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-[1-(benzylamino)-3-(cyclohexylamino)-2-hydroxy-propoxy]-4-oxo-but-2-enoate CAS Name: (Z)-4-[3-(cyclohexylamino)-2-hydroxy-1-[(phenylmethyl)amino]propoxy]-4-oxo-2-butenoate IUPAC Name: (Z)-4-[1-(benzylamino)-3-(cyclohexylamino)-2-hydroxypropoxy]-4-oxobut-2-enoate Traditional Name: (Z)-4-[1-(benzylamino)-3-(cyclohexylamino)-2-hydroxy-propoxy]-4-keto-but-2-enoate Formula: C20H27N2O5- MolecularWeight: 375.43878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(C(NCC2=CC=CC=C2)OC(=O)C=CC(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)NCC(C(NCC2=CC=CC=C2)OC(=O)/C=C\C(=O)[O-])O

InChI

InChI=1S/C20H28N2O5/c23-17(14-21-16-9-5-2-6-10-16)20(27-19(26)12-11-18(24)25)22-13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,16-17,20-23H,2,5-6,9-10,13-14H2,(H,24,25)/p-1/b12-11-