N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-methoxy-benzamide

Systemtic Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-methoxy-benzamide Openeye Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-methoxy-benzamide CAS Name: N-[4-[[6,6-bis(4-fluorophenyl)-1-oxohexyl]amino]but-2-ynyl]-4-methoxybenzamide IUPAC Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-methoxybenzamide Traditional Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-methoxy-benzamide Formula: C30H30F2N2O3 MolecularWeight: 504.567606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC#CCNC(=O)CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC#CCNC(=O)CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C30H30F2N2O3/c1-37-27-18-12-24(13-19-27)30(36)34-21-5-4-20-33-29(35)7-3-2-6-28(22-8-14-25(31)15-9-22)23-10-16-26(32)17-11-23/h8-19,28H,2-3,6-7,20-21H2,1H3,(H,33,35)(H,34,36)