(phenylmethyl) 5-[1-[3-[[1-ethoxy-4-(1H-indol-3-yl)-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-azepan-1-yl]pentyl]-1,3-bis(oxidanylidene)-7aH-isoindole-3a-carboxylate

Systemtic Name: (phenylmethyl) 5-[1-[3-[[1-ethoxy-4-(1H-indol-3-yl)-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-azepan-1-yl]pentyl]-1,3-bis(oxidanylidene)-7aH-isoindole-3a-carboxylate Openeye Name: benzyl 5-[1-[3-[[1-ethoxycarbonyl-3-(1H-indol-3-yl)propyl]amino]-2-oxo-azepan-1-yl]pentyl]-1,3-dioxo-7aH-isoindole-3a-carboxylate CAS Name: 5-[1-[3-[[1-ethoxy-4-(1H-indol-3-yl)-1-oxobutan-2-yl]amino]-2-oxo-1-azepanyl]pentyl]-1,3-dioxo-7aH-isoindole-3a-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[1-[3-[[1-ethoxy-4-(1H-indol-3-yl)-1-oxobutan-2-yl]amino]-2-oxoazepan-1-yl]pentyl]-1,3-dioxo-7aH-isoindole-3a-carboxylate Traditional Name: 5-[1-[3-[[1-carbethoxy-3-(1H-indol-3-yl)propyl]amino]-2-keto-azepan-1-yl]pentyl]-1,3-diketo-7aH-isoindole-3a-carboxylic acid benzyl ester Formula: C41H48N4O7 MolecularWeight: 708.84242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC2(C(C=C1)C(=O)NC2=O)C(=O)OCC3=CC=CC=C3)N4CCCCC(C4=O)NC(CCC5=CNC6=CC=CC=C65)C(=O)OCC

Isomeric SMILES

CCCCC(C1=CC2(C(C=C1)C(=O)NC2=O)C(=O)OCC3=CC=CC=C3)N4CCCCC(C4=O)NC(CCC5=CNC6=CC=CC=C65)C(=O)OCC

InChI

InChI=1S/C41H48N4O7/c1-3-5-18-35(28-19-21-31-36(46)44-39(49)41(31,24-28)40(50)52-26-27-13-7-6-8-14-27)45-23-12-11-17-33(37(45)47)43-34(38(48)51-4-2)22-20-29-25-42-32-16-10-9-15-30(29)32/h6-10,13-16,19,21,24-25,31,33-35,42-43H,3-5,11-12,17-18,20,22-23,26H2,1-2H3,(H,44,46,49)