2-azanyl-1-[3-[[4-(cyclohexylmethoxy)phenyl]-(3-methylbutyl)amino]pyrrolidin-1-yl]-4-methyl-pentan-1-one

Systemtic Name: 2-azanyl-1-[3-[[4-(cyclohexylmethoxy)phenyl]-(3-methylbutyl)amino]pyrrolidin-1-yl]-4-methyl-pentan-1-one Openeye Name: 2-amino-1-[3-[4-(cyclohexylmethoxy)-N-isopentyl-anilino]pyrrolidin-1-yl]-4-methyl-pentan-1-one CAS Name: 2-amino-1-[3-[4-(cyclohexylmethoxy)-N-(3-methylbutyl)anilino]-1-pyrrolidinyl]-4-methyl-1-pentanone IUPAC Name: 2-amino-1-[3-[4-(cyclohexylmethoxy)-N-(3-methylbutyl)anilino]pyrrolidin-1-yl]-4-methylpentan-1-one Traditional Name: 2-amino-1-[3-[4-(cyclohexylmethoxy)-N-isoamyl-anilino]pyrrolidino]-4-methyl-pentan-1-one Formula: C28H47N3O2 MolecularWeight: 457.69168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(C1)C(=O)C(CC(C)C)N)C2=CC=C(C=C2)OCC3CCCCC3

Isomeric SMILES

CC(C)CCN(C1CCN(C1)C(=O)C(CC(C)C)N)C2=CC=C(C=C2)OCC3CCCCC3

InChI

InChI=1S/C28H47N3O2/c1-21(2)14-17-31(25-15-16-30(19-25)28(32)27(29)18-22(3)4)24-10-12-26(13-11-24)33-20-23-8-6-5-7-9-23/h10-13,21-23,25,27H,5-9,14-20,29H2,1-4H3