3-butan-2-yl-13-decan-2-yl-9-[(3-fluorophenyl)methyl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

Systemtic Name: 3-butan-2-yl-13-decan-2-yl-9-[(3-fluorophenyl)methyl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Openeye Name: 9-[(3-fluorophenyl)methyl]-6-methyl-13-(1-methylnonyl)-3-sec-butyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone CAS Name: 3-butan-2-yl-13-decan-2-yl-9-[(3-fluorophenyl)methyl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone IUPAC Name: 3-butan-2-yl-13-decan-2-yl-9-[(3-fluorophenyl)methyl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Traditional Name: 9-(3-fluorobenzyl)-6-methyl-13-(1-methylnonyl)-3-sec-butyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-diquinone Formula: C31H48FN3O5 MolecularWeight: 561.728323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)CC)C)CC2=CC(=CC=C2)F

Isomeric SMILES

CCCCCCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)CC)C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C31H48FN3O5/c1-6-8-9-10-11-12-14-21(4)26-19-27(36)34-25(18-23-15-13-16-24(32)17-23)30(38)33-22(5)29(37)35-28(20(3)7-2)31(39)40-26/h13,15-17,20-22,25-26,28H,6-12,14,18-19H2,1-5H3,(H,33,38)(H,34,36)(H,35,37)