ethyl 4-[[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]amino]-phenoxy-phosphoryl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]amino]-phenoxy-phosphoryl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]amino]-phenoxy-phosphoryl]piperazine-1-carboxylate CAS Name: 4-[[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]amino]-phenoxyphosphoryl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]amino]-phenoxyphosphoryl]piperazine-1-carboxylate Traditional Name: 4-[[[2-(carbomethoxyamino)-3H-benzimidazol-5-yl]amino]-phenoxy-phosphoryl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N6O6P MolecularWeight: 502.460141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)P(=O)(NC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)P(=O)(NC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)OC4=CC=CC=C4

InChI

InChI=1S/C22H27N6O6P/c1-3-33-22(30)27-11-13-28(14-12-27)35(31,34-17-7-5-4-6-8-17)26-16-9-10-18-19(15-16)24-20(23-18)25-21(29)32-2/h4-10,15H,3,11-14H2,1-2H3,(H,26,31)(H2,23,24,25,29)