N-[2-tert-butyl-5-[(E)-7-cyclohexyl-2-(phenylmethoxymethyl)hept-1-enyl]phenyl]-2-(9H-xanthen-9-yl)ethanamide

Systemtic Name: N-[2-tert-butyl-5-[(E)-7-cyclohexyl-2-(phenylmethoxymethyl)hept-1-enyl]phenyl]-2-(9H-xanthen-9-yl)ethanamide Openeye Name: N-[5-[(E)-2-(benzyloxymethyl)-7-cyclohexyl-hept-1-enyl]-2-tert-butyl-phenyl]-2-(9H-xanthen-9-yl)acetamide CAS Name: N-[2-tert-butyl-5-[(E)-7-cyclohexyl-2-(phenylmethoxymethyl)hept-1-enyl]phenyl]-2-(9H-xanthen-9-yl)acetamide IUPAC Name: N-[2-tert-butyl-5-[(E)-7-cyclohexyl-2-(phenylmethoxymethyl)hept-1-enyl]phenyl]-2-(9H-xanthen-9-yl)acetamide Traditional Name: N-[5-[(E)-2-(benzoxymethyl)-7-cyclohexyl-hept-1-enyl]-2-tert-butyl-phenyl]-2-(9H-xanthen-9-yl)acetamide Formula: C46H55NO3 MolecularWeight: 669.9338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C=C(CCCCCC2CCCCC2)COCC3=CC=CC=C3)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)/C=C(\CCCCCC2CCCCC2)/COCC3=CC=CC=C3)NC(=O)CC4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C46H55NO3/c1-46(2,3)41-28-27-36(29-37(33-49-32-35-20-10-6-11-21-35)22-12-5-9-19-34-17-7-4-8-18-34)30-42(41)47-45(48)31-40-38-23-13-15-25-43(38)50-44-26-16-14-24-39(40)44/h6,10-11,13-16,20-21,23-30,34,40H,4-5,7-9,12,17-19,22,31-33H2,1-3H3,(H,47,48)/b37-29+