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

Systemtic Name: hexanedioic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine Openeye Name: adipic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine CAS Name: hexanedioic acid; 1-[[(Z)-(5-methoxy-3-indolylidene)methyl]amino]-2-pentylguanidine IUPAC Name: hexanedioic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentylguanidine Traditional Name: adipic acid; 2-amyl-1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]guanidine Formula: C22H33N5O5 MolecularWeight: 447.52792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O.C6H10O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;7-5(8)3-1-2-4-6(9)10/h6-7,9-11,20H,3-5,8H2,1-2H3,(H3,17,18,21);1-4H2,(H,7,8)(H,9,10)/b12-11+;