3,19-di(butan-2-yl)-7,12,12-trimethyl-13-pent-4-ynyl-6-(phenylmethyl)-9-propan-2-yl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone

Systemtic Name: 3,19-di(butan-2-yl)-7,12,12-trimethyl-13-pent-4-ynyl-6-(phenylmethyl)-9-propan-2-yl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone Openeye Name: 6-benzyl-9-isopropyl-7,12,12-trimethyl-13-pent-4-ynyl-3,19-disec-butyl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone CAS Name: 3,19-di(butan-2-yl)-7,12,12-trimethyl-13-pent-4-ynyl-6-(phenylmethyl)-9-propan-2-yl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone IUPAC Name: 6-benzyl-3,19-di(butan-2-yl)-7,12,12-trimethyl-13-pent-4-ynyl-9-propan-2-yl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone Traditional Name: 6-benzyl-9-isopropyl-7,12,12-trimethyl-13-pent-4-ynyl-3,19-disec-butyl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone Formula: C44H65N5O9 MolecularWeight: 808.015

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NCC(=O)OC(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N2CCCC2C(=O)N1)C(C)CC)CC3=CC=CC=C3)C)C(C)C)(C)C)CCCC#C

Isomeric SMILES

CCC(C)C1C(=O)NCC(=O)OC(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N2CCCC2C(=O)N1)C(C)CC)CC3=CC=CC=C3)C)C(C)C)(C)C)CCCC#C

InChI

InChI=1S/C44H65N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h1,15,17-18,20-21,27-29,31-33,35-37H,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)