(2S)-N-[(4-azanylcyclohexyl)methyl]-1-(3-phenylheptanoyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-(3-phenylheptanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(3-phenylheptanoyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1-oxo-3-phenylheptyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(3-phenylheptanoyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(3-phenylheptanoyl)pyrrolidine-2-carboxamide Formula: C25H39N3O2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CC(=O)N1CCC[C@H]1C(=O)NCC2CCC(CC2)N)C3=CC=CC=C3

InChI

InChI=1S/C25H39N3O2/c1-2-3-8-21(20-9-5-4-6-10-20)17-24(29)28-16-7-11-23(28)25(30)27-18-19-12-14-22(26)15-13-19/h4-6,9-10,19,21-23H,2-3,7-8,11-18,26H2,1H3,(H,27,30)/t19?,21?,22?,23-/m0/s1