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

Systemtic Name: 3-(2-azanylethyl)-5-ethoxy-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-benzimidazol-2-one Openeye Name: 3-(2-aminoethyl)-5-ethoxy-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]benzimidazol-2-one CAS Name: 3-(2-aminoethyl)-5-ethoxy-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxomethyl]-2-benzimidazolone IUPAC Name: 3-(2-aminoethyl)-5-ethoxy-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]benzimidazol-2-one Traditional Name: 3-(2-aminoethyl)-5-ethoxy-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]benzimidazol-2-one Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=O)N2CCN)C(=O)C3CC(CCC3C(C)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=O)N2CCN)C(=O)[C@@H]3C[C@@H](CC[C@H]3C(C)C)C

InChI

InChI=1S/C22H33N3O3/c1-5-28-16-7-9-19-20(13-16)24(11-10-23)22(27)25(19)21(26)18-12-15(4)6-8-17(18)14(2)3/h7,9,13-15,17-18H,5-6,8,10-12,23H2,1-4H3/t15-,17+,18-/m1/s1