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

Systemtic Name: (3S)-1-[(4-methoxy-2-oxidanyl-3-propan-2-yloxy-phenyl)methyl]-3-(phenylmethyl)-1,4-diazepane-2,5-dione Openeye Name: (3S)-3-benzyl-1-[(2-hydroxy-3-isopropoxy-4-methoxy-phenyl)methyl]-1,4-diazepane-2,5-dione CAS Name: (3S)-1-[(2-hydroxy-4-methoxy-3-propan-2-yloxyphenyl)methyl]-3-(phenylmethyl)-1,4-diazepane-2,5-dione IUPAC Name: (3S)-3-benzyl-1-[(2-hydroxy-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1,4-diazepane-2,5-dione Traditional Name: (3S)-3-benzyl-1-(2-hydroxy-3-isopropoxy-4-methoxy-benzyl)-1,4-diazepane-2,5-quinone Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1O)CN2CCC(=O)NC(C2=O)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1O)CN2CCC(=O)N[C@H](C2=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N2O5/c1-15(2)30-22-19(29-3)10-9-17(21(22)27)14-25-12-11-20(26)24-18(23(25)28)13-16-7-5-4-6-8-16/h4-10,15,18,27H,11-14H2,1-3H3,(H,24,26)/t18-/m0/s1