(4-butoxyphenyl) 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: (4-butoxyphenyl) 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: (4-butoxyphenyl) 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid (4-butoxyphenyl) ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C18H21N3O3/c1-2-3-12-23-15-8-10-16(11-9-15)24-17(22)13-4-6-14(7-5-13)21-18(19)20/h4-11H,2-3,12H2,1H3,(H4,19,20,21)