tert-butyl 1-[[[1-oxidanylidene-1-(phenylmethoxyamino)-4-(1-propylbenzimidazol-2-yl)butan-2-yl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: tert-butyl 1-[[[1-oxidanylidene-1-(phenylmethoxyamino)-4-(1-propylbenzimidazol-2-yl)butan-2-yl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: tert-butyl 1-[[[1-(benzyloxycarbamoyl)-3-(1-propylbenzimidazol-2-yl)propyl]amino]methyl]cyclohexanecarboxylate CAS Name: 1-[[[1-oxo-1-(phenylmethoxyamino)-4-(1-propyl-2-benzimidazolyl)butan-2-yl]amino]methyl]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[[1-oxo-1-(phenylmethoxyamino)-4-(1-propylbenzimidazol-2-yl)butan-2-yl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 1-[[[1-(benzoxycarbamoyl)-3-(1-propylbenzimidazol-2-yl)propyl]amino]methyl]cyclohexanecarboxylic acid tert-butyl ester Formula: C33H46N4O4 MolecularWeight: 562.74274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1CCC(C(=O)NOCC3=CC=CC=C3)NCC4(CCCCC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1CCC(C(=O)NOCC3=CC=CC=C3)NCC4(CCCCC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C33H46N4O4/c1-5-22-37-28-17-11-10-16-26(28)35-29(37)19-18-27(30(38)36-40-23-25-14-8-6-9-15-25)34-24-33(20-12-7-13-21-33)31(39)41-32(2,3)4/h6,8-11,14-17,27,34H,5,7,12-13,18-24H2,1-4H3,(H,36,38)