5,8-diaminocarbonyl-1,4-bis(N'-hex-5-enylcarbamimidoyl)naphthalene-2-carboxylic acid

Systemtic Name: 5,8-diaminocarbonyl-1,4-bis(N'-hex-5-enylcarbamimidoyl)naphthalene-2-carboxylic acid Openeye Name: 5,8-dicarbamoyl-1,4-bis(N'-hex-5-enylcarbamimidoyl)naphthalene-2-carboxylic acid CAS Name: 1,4-bis[amino(hex-5-enylimino)methyl]-5,8-dicarbamoyl-2-naphthalenecarboxylic acid IUPAC Name: 5,8-dicarbamoyl-1,4-bis(N'-hex-5-enylcarbamimidoyl)naphthalene-2-carboxylic acid Traditional Name: 5,8-dicarbamoyl-1,4-bis(N'-hex-5-enylamidino)-2-naphthoic acid Formula: C27H34N6O4 MolecularWeight: 506.59666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCN=C(C1=CC(=C(C2=C(C=CC(=C12)C(=O)N)C(=O)N)C(=NCCCCC=C)N)C(=O)O)N

Isomeric SMILES

C=CCCCCN=C(C1=CC(=C(C2=C(C=CC(=C12)C(=O)N)C(=O)N)C(=NCCCCC=C)N)C(=O)O)N

InChI

InChI=1S/C27H34N6O4/c1-3-5-7-9-13-32-23(28)18-15-19(27(36)37)22(24(29)33-14-10-8-6-4-2)21-17(26(31)35)12-11-16(20(18)21)25(30)34/h3-4,11-12,15H,1-2,5-10,13-14H2,(H2,28,32)(H2,29,33)(H2,30,34)(H2,31,35)(H,36,37)