heptyl 4-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]benzoate

Systemtic Name: heptyl 4-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]benzoate Openeye Name: heptyl 4-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methylamino]benzoate CAS Name: 4-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]benzoic acid heptyl ester IUPAC Name: heptyl 4-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]benzoate Traditional Name: 4-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methylamino]benzoic acid heptyl ester Formula: C23H31NO4 MolecularWeight: 385.49654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)CC(CC2=O)(C)C

InChI

InChI=1S/C23H31NO4/c1-4-5-6-7-8-13-28-22(27)17-9-11-18(12-10-17)24-16-19-20(25)14-23(2,3)15-21(19)26/h9-12,16,24H,4-8,13-15H2,1-3H3