4-[[4-(2-hydroxyethyloxy)phenyl]methyl]-6,11-dimethyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione

Systemtic Name: 4-[[4-(2-hydroxyethyloxy)phenyl]methyl]-6,11-dimethyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione Openeye Name: 4-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,11-dimethyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione CAS Name: 4-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,11-dimethyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione IUPAC Name: 4-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,11-dimethyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione Traditional Name: 4-[4-(2-hydroxyethoxy)benzyl]-6,11-dimethyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-quinone Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CCC(C(=O)OCC(N(C1=O)CC2=CC=C(C=C2)OCCO)C3=CC=CC=C3)C

Isomeric SMILES

CC1CC=CCC(C(=O)OCC(N(C1=O)CC2=CC=C(C=C2)OCCO)C3=CC=CC=C3)C

InChI

InChI=1S/C27H33NO5/c1-20-8-6-7-9-21(2)27(31)33-19-25(23-10-4-3-5-11-23)28(26(20)30)18-22-12-14-24(15-13-22)32-17-16-29/h3-7,10-15,20-21,25,29H,8-9,16-19H2,1-2H3