lithium; butane; 2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-ethanamide

Systemtic Name: lithium; butane; 2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-ethanamide Openeye Name: lithium; butane; 2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide CAS Name: lithium; butane; 2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: lithium; butane; 2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: lithium; butane; 2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-N-methyl-N-p-anisyl-acetamide Formula: C27H35LiN2O4 MolecularWeight: 458.5188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCC[CH2-].CC1(C(C(C2=C(O1)C=CC(=C2)C#N)CC(=O)N(C)CC3=CC=C(C=C3)OC)O)C

Isomeric SMILES

[Li+].CCC[CH2-].CC1(C(C(C2=C(O1)C=CC(=C2)C#N)CC(=O)N(C)CC3=CC=C(C=C3)OC)O)C

InChI

InChI=1S/C23H26N2O4.C4H9.Li/c1-23(2)22(27)19(18-11-16(13-24)7-10-20(18)29-23)12-21(26)25(3)14-15-5-8-17(28-4)9-6-15;1-3-4-2;/h5-11,19,22,27H,12,14H2,1-4H3;1,3-4H2,2H3;/q;-1;+1