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

Systemtic Name: N1-[(2S)-3-azanyl-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-ethylphenyl)methoxy]butan-2-yl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S)-2-amino-1-[(3,5-difluorophenyl)methyl]-3-[(3-ethylphenyl)methoxy]propyl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S)-3-amino-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methoxy]butan-2-yl]-5-ethynyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S)-3-amino-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methoxy]butan-2-yl]-5-ethynyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S)-2-amino-1-(3,5-difluorobenzyl)-3-(3-ethylbenzyl)oxy-propyl]-5-ethynyl-N',N'-dipropyl-isophthalamide Formula: C35H41F2N3O3 MolecularWeight: 589.715146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(COCC3=CC=CC(=C3)CC)N)C#C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)C(COCC3=CC=CC(=C3)CC)N)C#C

InChI

InChI=1S/C35H41F2N3O3/c1-5-12-40(13-6-2)35(42)29-16-25(8-4)15-28(20-29)34(41)39-33(19-27-17-30(36)21-31(37)18-27)32(38)23-43-22-26-11-9-10-24(7-3)14-26/h4,9-11,14-18,20-21,32-33H,5-7,12-13,19,22-23,38H2,1-3H3,(H,39,41)/t32?,33-/m0/s1