but-2-enedioic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine

Systemtic Name: but-2-enedioic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine Openeye Name: but-2-enedioic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine CAS Name: but-2-enedioic acid; 1-[[(Z)-(5-methoxy-3-indolylidene)methyl]amino]-2-pentylguanidine IUPAC Name: but-2-enedioic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentylguanidine Traditional Name: 2-amyl-1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]guanidine; but-2-enedioic acid Formula: C20H27N5O5 MolecularWeight: 417.45888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCN=C(N)NN/C=C/1\C=NC2=C1C=C(C=C2)OC.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,20H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b12-11+;