N-[2-tert-butyl-5-(7-cycloheptyl-5-oxidanylidene-heptyl)phenyl]-2-(9H-xanthen-9-yl)ethanamide

Systemtic Name: N-[2-tert-butyl-5-(7-cycloheptyl-5-oxidanylidene-heptyl)phenyl]-2-(9H-xanthen-9-yl)ethanamide Openeye Name: N-[2-tert-butyl-5-(7-cycloheptyl-5-oxo-heptyl)phenyl]-2-(9H-xanthen-9-yl)acetamide CAS Name: N-[2-tert-butyl-5-(7-cycloheptyl-5-oxoheptyl)phenyl]-2-(9H-xanthen-9-yl)acetamide IUPAC Name: N-[2-tert-butyl-5-(7-cycloheptyl-5-oxoheptyl)phenyl]-2-(9H-xanthen-9-yl)acetamide Traditional Name: N-[2-tert-butyl-5-(7-cycloheptyl-5-keto-heptyl)phenyl]-2-(9H-xanthen-9-yl)acetamide Formula: C39H49NO3 MolecularWeight: 579.81126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCCCC(=O)CCC2CCCCCC2)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCCCC(=O)CCC2CCCCCC2)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C39H49NO3/c1-39(2,3)34-25-23-29(16-8-9-17-30(41)24-22-28-14-6-4-5-7-15-28)26-35(34)40-38(42)27-33-31-18-10-12-20-36(31)43-37-21-13-11-19-32(33)37/h10-13,18-21,23,25-26,28,33H,4-9,14-17,22,24,27H2,1-3H3,(H,40,42)