[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C25H33N3O3/c1-4-5-28-16(2)6-21(17(28)3)10-22(14-26)24(30)31-15-23(29)27-25-11-18-7-19(12-25)9-20(8-18)13-25/h6,10,18-20H,4-5,7-9,11-13,15H2,1-3H3,(H,27,29)/b22-10+