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

Systemtic Name: benzoic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine Openeye Name: benzoic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine CAS Name: benzoic acid; 1-[[(Z)-(5-methoxy-3-indolylidene)methyl]amino]-2-pentylguanidine IUPAC Name: benzoic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentylguanidine Traditional Name: 2-amyl-1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]guanidine; benzoic acid Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)OC.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCN=C(N)NN/C=C/1\C=NC2=C1C=C(C=C2)OC.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H23N5O.C7H6O2/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;8-7(9)6-4-2-1-3-5-6/h6-7,9-11,20H,3-5,8H2,1-2H3,(H3,17,18,21);1-5H,(H,8,9)/b12-11+;