N1,N4-bis[4-(N,N'-diethyl-N-pentanoyl-carbamimidoyl)phenyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[4-(N,N'-diethyl-N-pentanoyl-carbamimidoyl)phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-(N,N'-diethyl-N-pentanoyl-carbamimidoyl)phenyl]terephthalamide CAS Name: N1,N4-bis[4-[ethylimino-[ethyl(1-oxopentyl)amino]methyl]phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-(N,N'-diethyl-N-pentanoylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-(N,N'-diethyl-N-valeryl-amidino)phenyl]terephthalamide Formula: C40H52N6O4 MolecularWeight: 680.87868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC)C(=NCC)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NCC)N(CC)C(=O)CCCC

Isomeric SMILES

CCCCC(=O)N(CC)C(=NCC)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NCC)N(CC)C(=O)CCCC

InChI

InChI=1S/C40H52N6O4/c1-7-13-15-35(47)45(11-5)37(41-9-3)29-21-25-33(26-22-29)43-39(49)31-17-19-32(20-18-31)40(50)44-34-27-23-30(24-28-34)38(42-10-4)46(12-6)36(48)16-14-8-2/h17-28H,7-16H2,1-6H3,(H,43,49)(H,44,50)