5-ethynyl-N1-[1-(4-hydroxyphenyl)-4-[(3-methylbutanoylamino)-propyl-amino]-3-oxidanyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: 5-ethynyl-N1-[1-(4-hydroxyphenyl)-4-[(3-methylbutanoylamino)-propyl-amino]-3-oxidanyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: 5-ethynyl-N1-[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-3-[(3-methylbutanoylamino)-propyl-amino]propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: 5-ethynyl-N1-[3-hydroxy-1-(4-hydroxyphenyl)-4-[[(3-methyl-1-oxobutyl)amino]-propylamino]butan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 5-ethynyl-1-N-[3-hydroxy-1-(4-hydroxyphenyl)-4-[(3-methylbutanoylamino)-propylamino]butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: 5-ethynyl-N-[2-hydroxy-1-(4-hydroxybenzyl)-3-[(isovalerylamino)-propyl-amino]propyl]-N',N'-dipropyl-isophthalamide Formula: C34H48N4O5 MolecularWeight: 592.76872

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(CN(CCC)NC(=O)CC(C)C)O)C#C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(CN(CCC)NC(=O)CC(C)C)O)C#C

InChI

InChI=1S/C34H48N4O5/c1-7-15-37(16-8-2)34(43)28-20-25(10-4)19-27(22-28)33(42)35-30(21-26-11-13-29(39)14-12-26)31(40)23-38(17-9-3)36-32(41)18-24(5)6/h4,11-14,19-20,22,24,30-31,39-40H,7-9,15-18,21,23H2,1-3,5-6H3,(H,35,42)(H,36,41)