[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoate CAS Name: 3-(2-oxo-3-propyl-1-benzimidazolyl)propanoic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-propyl-benzimidazol-1-yl)propionic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)NC3CCCCC3C

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)N[C@H]3CCCC[C@@H]3C

InChI

InChI=1S/C22H31N3O4/c1-3-13-24-18-10-6-7-11-19(18)25(22(24)28)14-12-21(27)29-15-20(26)23-17-9-5-4-8-16(17)2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,23,26)/t16-,17-/m0/s1