(phenylmethyl) 2-[3-(cyclohexylcarbamoylamino)-2-oxidanylidene-4-[(E)-2-phenylethenyl]azetidin-1-yl]hexanoate

Systemtic Name: (phenylmethyl) 2-[3-(cyclohexylcarbamoylamino)-2-oxidanylidene-4-[(E)-2-phenylethenyl]azetidin-1-yl]hexanoate Openeye Name: benzyl 2-[3-(cyclohexylcarbamoylamino)-2-oxo-4-[(E)-styryl]azetidin-1-yl]hexanoate CAS Name: 2-[3-[[(cyclohexylamino)-oxomethyl]amino]-2-oxo-4-[(E)-2-phenylethenyl]-1-azetidinyl]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(cyclohexylcarbamoylamino)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]hexanoate Traditional Name: 2-[3-(cyclohexylcarbamoylamino)-2-keto-4-[(E)-styryl]azetidin-1-yl]hexanoic acid benzyl ester Formula: C31H39N3O4 MolecularWeight: 517.65906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)NC3CCCCC3)C=CC4=CC=CC=C4

Isomeric SMILES

CCCCC(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)NC3CCCCC3)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C31H39N3O4/c1-2-3-19-27(30(36)38-22-24-15-9-5-10-16-24)34-26(21-20-23-13-7-4-8-14-23)28(29(34)35)33-31(37)32-25-17-11-6-12-18-25/h4-5,7-10,13-16,20-21,25-28H,2-3,6,11-12,17-19,22H2,1H3,(H2,32,33,37)/b21-20+