(3S)-1-[(4-methoxy-2-oxidanyl-3-propan-2-yloxy-phenyl)methyl]-3-(phenylmethyl)-1,4-diazocane-2,5-dione

Systemtic Name: (3S)-1-[(4-methoxy-2-oxidanyl-3-propan-2-yloxy-phenyl)methyl]-3-(phenylmethyl)-1,4-diazocane-2,5-dione Openeye Name: (3S)-3-benzyl-1-[(2-hydroxy-3-isopropoxy-4-methoxy-phenyl)methyl]-1,4-diazocane-2,5-dione CAS Name: (3S)-1-[(2-hydroxy-4-methoxy-3-propan-2-yloxyphenyl)methyl]-3-(phenylmethyl)-1,4-diazocane-2,5-dione IUPAC Name: (3S)-3-benzyl-1-[(2-hydroxy-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1,4-diazocane-2,5-dione Traditional Name: (3S)-3-benzyl-1-(2-hydroxy-3-isopropoxy-4-methoxy-benzyl)-1,4-diazocane-2,5-quinone Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1O)CN2CCCC(=O)NC(C2=O)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1O)CN2CCCC(=O)N[C@H](C2=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C24H30N2O5/c1-16(2)31-23-20(30-3)12-11-18(22(23)28)15-26-13-7-10-21(27)25-19(24(26)29)14-17-8-5-4-6-9-17/h4-6,8-9,11-12,16,19,28H,7,10,13-15H2,1-3H3,(H,25,27)/t19-/m0/s1