N1-[(2S)-3-azanyl-1-[3,5-bis(fluoranyl)phenyl]-4-propoxy-butan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[(2S)-3-azanyl-1-[3,5-bis(fluoranyl)phenyl]-4-propoxy-butan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S)-2-amino-1-[(3,5-difluorophenyl)methyl]-3-propoxy-propyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S)-3-amino-1-(3,5-difluorophenyl)-4-propoxybutan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S)-3-amino-1-(3,5-difluorophenyl)-4-propoxybutan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S)-2-amino-1-(3,5-difluorobenzyl)-3-propoxy-propyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C28H39F2N3O3 MolecularWeight: 503.624366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(COCCC)N)C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)C(COCCC)N)C

InChI

InChI=1S/C28H39F2N3O3/c1-5-8-33(9-6-2)28(35)22-12-19(4)11-21(16-22)27(34)32-26(25(31)18-36-10-7-3)15-20-13-23(29)17-24(30)14-20/h11-14,16-17,25-26H,5-10,15,18,31H2,1-4H3,(H,32,34)/t25?,26-/m0/s1