tert-butyl 2-[[1-[4-[(3-azanyloxy-3-oxidanylidene-propyl)carbamoyl]phenyl]piperidin-4-yl]amino]benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-[[1-[4-[(3-azanyloxy-3-oxidanylidene-propyl)carbamoyl]phenyl]piperidin-4-yl]amino]benzimidazole-1-carboxylate Openeye Name: tert-butyl 2-[[1-[4-[(3-aminooxy-3-oxo-propyl)carbamoyl]phenyl]-4-piperidyl]amino]benzimidazole-1-carboxylate CAS Name: 2-[[1-[4-[[(3-aminooxy-3-oxopropyl)amino]-oxomethyl]phenyl]-4-piperidinyl]amino]-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-[4-[(3-aminooxy-3-oxopropyl)carbamoyl]phenyl]piperidin-4-yl]amino]benzimidazole-1-carboxylate Traditional Name: 2-[[1-[4-[(3-aminooxy-3-keto-propyl)carbamoyl]phenyl]-4-piperidyl]amino]benzimidazole-1-carboxylic acid tert-butyl ester Formula: C27H34N6O5 MolecularWeight: 522.59606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2N=C1NC3CCN(CC3)C4=CC=C(C=C4)C(=O)NCCC(=O)ON

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2N=C1NC3CCN(CC3)C4=CC=C(C=C4)C(=O)NCCC(=O)ON

InChI

InChI=1S/C27H34N6O5/c1-27(2,3)37-26(36)33-22-7-5-4-6-21(22)31-25(33)30-19-13-16-32(17-14-19)20-10-8-18(9-11-20)24(35)29-15-12-23(34)38-28/h4-11,19H,12-17,28H2,1-3H3,(H,29,35)(H,30,31)