N1-[3,4-bis(oxidanyl)-1-phenyl-non-8-yn-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide

Systemtic Name: N1-[3,4-bis(oxidanyl)-1-phenyl-non-8-yn-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-(1-benzyl-2,3-dihydroxy-oct-7-ynyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-(3,4-dihydroxy-1-phenylnon-8-yn-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-1-phenylnon-8-yn-2-yl)-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-(1-benzyl-2,3-dihydroxy-oct-7-ynyl)-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C30H39N3O5 MolecularWeight: 521.64776

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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)C(C(CCCC#C)O)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O5/c1-4-7-9-14-26(34)27(35)25(17-21-12-10-8-11-13-21)32-29(37)23-18-22(28(31)36)19-24(20-23)30(38)33(15-5-2)16-6-3/h1,8,10-13,18-20,25-27,34-35H,5-7,9,14-17H2,2-3H3,(H2,31,36)(H,32,37)