3-[bis(1-hydroxyethyl)amino]-12-(morpholin-4-ylmethyl)-13-oxidanyl-13-phenyl-1-azacyclotridecane-2,11-dione

Systemtic Name: 3-[bis(1-hydroxyethyl)amino]-12-(morpholin-4-ylmethyl)-13-oxidanyl-13-phenyl-1-azacyclotridecane-2,11-dione Openeye Name: 3-[bis(1-hydroxyethyl)amino]-13-hydroxy-12-(morpholinomethyl)-13-phenyl-azacyclotridecane-2,11-dione CAS Name: 3-[bis(1-hydroxyethyl)amino]-13-hydroxy-12-(4-morpholinylmethyl)-13-phenyl-azacyclotridecane-2,11-dione IUPAC Name: 3-[bis(1-hydroxyethyl)amino]-13-hydroxy-12-(morpholin-4-ylmethyl)-13-phenyl-azacyclotridecane-2,11-dione Traditional Name: 3-[bis(1-hydroxyethyl)amino]-13-hydroxy-12-(morpholinomethyl)-13-phenyl-azacyclotridecane-2,11-quinone Formula: C27H43N3O6 MolecularWeight: 505.64682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N(C1CCCCCCCC(=O)C(C(NC1=O)(C2=CC=CC=C2)O)CN3CCOCC3)C(C)O)O

Isomeric SMILES

CC(N(C1CCCCCCCC(=O)C(C(NC1=O)(C2=CC=CC=C2)O)CN3CCOCC3)C(C)O)O

InChI

InChI=1S/C27H43N3O6/c1-20(31)30(21(2)32)24-13-9-4-3-5-10-14-25(33)23(19-29-15-17-36-18-16-29)27(35,28-26(24)34)22-11-7-6-8-12-22/h6-8,11-12,20-21,23-24,31-32,35H,3-5,9-10,13-19H2,1-2H3,(H,28,34)