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

Systemtic Name: 3-(2-azanylethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-5-propoxy-benzimidazol-2-one Openeye Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-5-propoxy-benzimidazol-2-one CAS Name: 3-(2-aminoethyl)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxomethyl]-5-propoxy-2-benzimidazolone IUPAC Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]-5-propoxybenzimidazol-2-one Traditional Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-5-propoxy-benzimidazol-2-one Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)N(C(=O)N2CCN)C(=O)C3CC(CCC3C(C)C)C

Isomeric SMILES

CCCOC1=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/C23H35N3O3/c1-5-12-29-17-7-9-20-21(14-17)25(11-10-24)23(28)26(20)22(27)19-13-16(4)6-8-18(19)15(2)3/h7,9,14-16,18-19H,5-6,8,10-13,24H2,1-4H3/t16-,18+,19-/m1/s1