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

Systemtic Name: 4-[[4-(2-hydroxyethyloxy)phenyl]methyl]-6,11-dimethyl-3-(phenylmethyl)-1-oxa-4-azacyclododec-8-ene-5,12-dione Openeye Name: 3-benzyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione CAS Name: 4-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,11-dimethyl-3-(phenylmethyl)-1-oxa-4-azacyclododec-8-ene-5,12-dione IUPAC Name: 3-benzyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione Traditional Name: 3-benzyl-4-[4-(2-hydroxyethoxy)benzyl]-6,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-quinone Formula: C28H35NO5 MolecularWeight: 465.5812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CCC(C(=O)OCC(N(C1=O)CC2=CC=C(C=C2)OCCO)CC3=CC=CC=C3)C

Isomeric SMILES

CC1CC=CCC(C(=O)OCC(N(C1=O)CC2=CC=C(C=C2)OCCO)CC3=CC=CC=C3)C

InChI

InChI=1S/C28H35NO5/c1-21-8-6-7-9-22(2)28(32)34-20-25(18-23-10-4-3-5-11-23)29(27(21)31)19-24-12-14-26(15-13-24)33-17-16-30/h3-7,10-15,21-22,25,30H,8-9,16-20H2,1-2H3