2-[(E)-[4-[(3-oxidanyl-4-propanoyl-2-propyl-phenyl)methoxy]phenyl]methylideneamino]guanidine

Systemtic Name: 2-[(E)-[4-[(3-oxidanyl-4-propanoyl-2-propyl-phenyl)methoxy]phenyl]methylideneamino]guanidine Openeye Name: 2-[(E)-[4-[(3-hydroxy-4-propanoyl-2-propyl-phenyl)methoxy]phenyl]methyleneamino]guanidine CAS Name: 2-[(E)-[4-[[3-hydroxy-4-(1-oxopropyl)-2-propylphenyl]methoxy]phenyl]methylideneamino]guanidine IUPAC Name: 2-[(E)-[4-[(3-hydroxy-4-propanoyl-2-propylphenyl)methoxy]phenyl]methylideneamino]guanidine Traditional Name: 2-[(E)-[4-(3-hydroxy-4-propionyl-2-propyl-benzyl)oxybenzylidene]amino]guanidine Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)CC)COC2=CC=C(C=C2)C=NN=C(N)N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)CC)COC2=CC=C(C=C2)/C=N/N=C(N)N

InChI

InChI=1S/C21H26N4O3/c1-3-5-17-15(8-11-18(20(17)27)19(26)4-2)13-28-16-9-6-14(7-10-16)12-24-25-21(22)23/h6-12,27H,3-5,13H2,1-2H3,(H4,22,23,25)/b24-12+