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

Systemtic Name: N1-[3,4-bis(oxidanyl)-1-phenyl-non-8-yn-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-(1-benzyl-2,3-dihydroxy-oct-7-ynyl)-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-(3,4-dihydroxy-1-phenylnon-8-yn-2-yl)-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-(3,4-dihydroxy-1-phenylnon-8-yn-2-yl)-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-(1-benzyl-2,3-dihydroxy-oct-7-ynyl)-5-methyl-N',N'-dipropyl-isophthalamide Formula: C30H40N2O4 MolecularWeight: 492.6496

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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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O4/c1-5-8-10-15-27(33)28(34)26(20-23-13-11-9-12-14-23)31-29(35)24-18-22(4)19-25(21-24)30(36)32(16-6-2)17-7-3/h1,9,11-14,18-19,21,26-28,33-34H,6-8,10,15-17,20H2,2-4H3,(H,31,35)