cycloheptyl 6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: cycloheptyl 6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: cycloheptyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: 6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: 4-keto-3-methyl-6-p-phenetyl-1,5,6,7-tetrahydroindole-2-carboxylic acid cycloheptyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OC4CCCCCC4)C)C(=O)C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OC4CCCCCC4)C)C(=O)C2

InChI

InChI=1S/C25H31NO4/c1-3-29-19-12-10-17(11-13-19)18-14-21-23(22(27)15-18)16(2)24(26-21)25(28)30-20-8-6-4-5-7-9-20/h10-13,18,20,26H,3-9,14-15H2,1-2H3