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

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[3-(2-methoxyphenyl)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidine-2-carboxamide Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)N2CCCC2C(=O)NCC3CCC(CC3)N

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N

InChI

InChI=1S/C22H33N3O3/c1-28-20-7-3-2-5-17(20)10-13-21(26)25-14-4-6-19(25)22(27)24-15-16-8-11-18(23)12-9-16/h2-3,5,7,16,18-19H,4,6,8-15,23H2,1H3,(H,24,27)/t16?,18?,19-/m0/s1