3-(2-azanylethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-5-phenylmethoxy-benzimidazol-2-one

Systemtic Name: 3-(2-azanylethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-5-phenylmethoxy-benzimidazol-2-one Openeye Name: 3-(2-aminoethyl)-5-benzyloxy-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]benzimidazol-2-one CAS Name: 3-(2-aminoethyl)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxomethyl]-5-phenylmethoxy-2-benzimidazolone IUPAC Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]-5-phenylmethoxybenzimidazol-2-one Traditional Name: 3-(2-aminoethyl)-5-benzoxy-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]benzimidazol-2-one Formula: C27H35N3O3 MolecularWeight: 449.5851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)N2C3=C(C=C(C=C3)OCC4=CC=CC=C4)N(C2=O)CCN)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)N2C3=C(C=C(C=C3)OCC4=CC=CC=C4)N(C2=O)CCN)C(C)C

InChI

InChI=1S/C27H35N3O3/c1-18(2)22-11-9-19(3)15-23(22)26(31)30-24-12-10-21(33-17-20-7-5-4-6-8-20)16-25(24)29(14-13-28)27(30)32/h4-8,10,12,16,18-19,22-23H,9,11,13-15,17,28H2,1-3H3/t19-,22+,23-/m1/s1