[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-methoxyphenyl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-methoxyphenyl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27NO4/c1-26-19-5-3-2-4-18(19)6-7-21(25)27-14-20(24)23-22-11-15-8-16(12-22)10-17(9-15)13-22/h2-7,15-17H,8-14H2,1H3,(H,23,24)/b7-6+