propan-2-yl (3Z)-3-[(7-methyl-6-phenylmethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-bis(oxidanylidene)-4-(phenylmethyl)-6-[(2,4,5-trimethoxy-3-methyl-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: propan-2-yl (3Z)-3-[(7-methyl-6-phenylmethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-bis(oxidanylidene)-4-(phenylmethyl)-6-[(2,4,5-trimethoxy-3-methyl-phenyl)methyl]piperazine-1-carboxylate Openeye Name: isopropyl (3Z)-4-benzyl-3-[(6-benzyloxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methyl-phenyl)methyl]piperazine-1-carboxylate CAS Name: (3Z)-3-[(7-methyl-6-phenylmethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxo-4-(phenylmethyl)-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-1-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (3Z)-4-benzyl-3-[(7-methyl-6-phenylmethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]piperazine-1-carboxylate Traditional Name: (3Z)-3-[(6-benzoxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-4-benzyl-2,5-diketo-6-(2,4,5-trimethoxy-3-methyl-benzyl)piperazine-1-carboxylic acid isopropyl ester Formula: C42H44N2O10 MolecularWeight: 736.80616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C1OCO2)C=C3C(=O)N(C(C(=O)N3CC4=CC=CC=C4)CC5=CC(=C(C(=C5OC)C)OC)OC)C(=O)OC(C)C)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=CC2=C1OCO2)/C=C\3/C(=O)N(C(C(=O)N3CC4=CC=CC=C4)CC5=CC(=C(C(=C5OC)C)OC)OC)C(=O)OC(C)C)OCC6=CC=CC=C6

InChI

InChI=1S/C42H44N2O10/c1-25(2)54-42(47)44-33(19-30-20-34(48-5)38(50-7)26(3)36(30)49-6)40(45)43(22-28-14-10-8-11-15-28)32(41(44)46)18-31-21-35-39(53-24-52-35)27(4)37(31)51-23-29-16-12-9-13-17-29/h8-18,20-21,25,33H,19,22-24H2,1-7H3/b32-18-