3-butan-2-yl-13-hexan-2-yl-6-(phenylmethyl)-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

Systemtic Name: 3-butan-2-yl-13-hexan-2-yl-6-(phenylmethyl)-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Openeye Name: 6-benzyl-9-isopropyl-13-(1-methylpentyl)-3-sec-butyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone CAS Name: 3-butan-2-yl-13-hexan-2-yl-6-(phenylmethyl)-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone IUPAC Name: 6-benzyl-3-butan-2-yl-13-hexan-2-yl-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Traditional Name: 6-benzyl-9-isopropyl-13-(1-methylpentyl)-3-sec-butyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-diquinone Formula: C29H45N3O5 MolecularWeight: 515.6847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)CC)CC2=CC=CC=C2)C(C)C

Isomeric SMILES

CCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)CC)CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C29H45N3O5/c1-7-9-13-20(6)23-17-24(33)31-25(18(3)4)28(35)30-22(16-21-14-11-10-12-15-21)27(34)32-26(19(5)8-2)29(36)37-23/h10-12,14-15,18-20,22-23,25-26H,7-9,13,16-17H2,1-6H3,(H,30,35)(H,31,33)(H,32,34)