4-[[4-(2-hydroxyethyloxy)phenyl]methyl]-6,11-bis(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione

Systemtic Name: 4-[[4-(2-hydroxyethyloxy)phenyl]methyl]-6,11-bis(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione Openeye Name: 4-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,11-bis(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione CAS Name: 4-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,11-bis[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione IUPAC Name: 4-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,11-bis(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione Traditional Name: 4-[4-(2-hydroxyethoxy)benzyl]-6,11-bis(2-keto-2-pyrrolidino-ethyl)-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-quinone Formula: C37H47N3O7 MolecularWeight: 645.78498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC2CC=CCC(C(=O)OCC(N(C2=O)CC3=CC=C(C=C3)OCCO)C4=CC=CC=C4)CC(=O)N5CCCC5

Isomeric SMILES

C1CCN(C1)C(=O)CC2CC=CCC(C(=O)OCC(N(C2=O)CC3=CC=C(C=C3)OCCO)C4=CC=CC=C4)CC(=O)N5CCCC5

InChI

InChI=1S/C37H47N3O7/c41-22-23-46-32-16-14-28(15-17-32)26-40-33(29-10-2-1-3-11-29)27-47-37(45)31(25-35(43)39-20-8-9-21-39)13-5-4-12-30(36(40)44)24-34(42)38-18-6-7-19-38/h1-5,10-11,14-17,30-31,33,41H,6-9,12-13,18-27H2