[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-ethoxyphenyl)-2-propenoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-o-phenetylacrylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31NO4/c1-3-28-21-7-5-4-6-20(21)8-9-22(26)29-16(2)23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-9,16-19H,3,10-15H2,1-2H3,(H,25,27)/b9-8+/t16-,17?,18?,19?,24?/m1/s1