butyl (1Z)-6-chloranyl-1-(2-cycloheptyl-2-oxidanylidene-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate

Systemtic Name: butyl (1Z)-6-chloranyl-1-(2-cycloheptyl-2-oxidanylidene-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate Openeye Name: butyl (1Z)-6-chloro-1-(2-cycloheptyl-2-oxo-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate CAS Name: (1Z)-6-chloro-1-(2-cycloheptyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid butyl ester IUPAC Name: butyl (1Z)-6-chloro-1-(2-cycloheptyl-2-oxoethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylate Traditional Name: (1Z)-6-chloro-1-(2-cycloheptyl-2-keto-ethylidene)-3,3-dimethyl-2,4-dihydroisoquinoline-7-carboxylic acid butyl ester Formula: C25H34ClNO3 MolecularWeight: 431.99536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=C2CC(NC(=CC(=O)C3CCCCCC3)C2=C1)(C)C)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=C2CC(N/C(=C\C(=O)C3CCCCCC3)/C2=C1)(C)C)Cl

InChI

InChI=1S/C25H34ClNO3/c1-4-5-12-30-24(29)20-14-19-18(13-21(20)26)16-25(2,3)27-22(19)15-23(28)17-10-8-6-7-9-11-17/h13-15,17,27H,4-12,16H2,1-3H3/b22-15-