(2S)-N-[(4-azanylcyclohexyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)pyrrolidine-2-carboxamide Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2COC3=CC=CC=C3O2)C(=O)NCC4CCC(CC4)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2COC3=CC=CC=C3O2)C(=O)NCC4CCC(CC4)N

InChI

InChI=1S/C21H29N3O4/c22-15-9-7-14(8-10-15)12-23-20(25)16-4-3-11-24(16)21(26)19-13-27-17-5-1-2-6-18(17)28-19/h1-2,5-6,14-16,19H,3-4,7-13,22H2,(H,23,25)/t14?,15?,16-,19?/m0/s1