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

Systemtic Name: 5-ethynyl-N1-[1-(4-hydroxyphenyl)-3-oxidanyl-4-[(2-phenylethanoylamino)-propyl-amino]butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: 5-ethynyl-N1-[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-3-[[(2-phenylacetyl)amino]-propyl-amino]propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: 5-ethynyl-N1-[3-hydroxy-1-(4-hydroxyphenyl)-4-[[(1-oxo-2-phenylethyl)amino]-propylamino]butan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 5-ethynyl-1-N-[3-hydroxy-1-(4-hydroxyphenyl)-4-[[(2-phenylacetyl)amino]-propylamino]butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: 5-ethynyl-N-[2-hydroxy-1-(4-hydroxybenzyl)-3-[[(2-phenylacetyl)amino]-propyl-amino]propyl]-N',N'-dipropyl-isophthalamide Formula: C37H46N4O5 MolecularWeight: 626.78494

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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)CC3=CC=CC=C3)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)CC3=CC=CC=C3)O)C#C

InChI

InChI=1S/C37H46N4O5/c1-5-18-40(19-6-2)37(46)31-22-27(8-4)21-30(25-31)36(45)38-33(23-29-14-16-32(42)17-15-29)34(43)26-41(20-7-3)39-35(44)24-28-12-10-9-11-13-28/h4,9-17,21-22,25,33-34,42-43H,5-7,18-20,23-24,26H2,1-3H3,(H,38,45)(H,39,44)