(4-butoxyphenyl) 7-[bis(azanyl)methylideneamino]-1,2,3,4-tetrahydronaphthalene-1-carboxylate

Systemtic Name: (4-butoxyphenyl) 7-[bis(azanyl)methylideneamino]-1,2,3,4-tetrahydronaphthalene-1-carboxylate Openeye Name: (4-butoxyphenyl) 7-guanidinotetralin-1-carboxylate CAS Name: 7-(diaminomethylideneamino)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 7-(diaminomethylideneamino)-1,2,3,4-tetrahydronaphthalene-1-carboxylate Traditional Name: 7-guanidinotetralin-1-carboxylic acid (4-butoxyphenyl) ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)C2CCCC3=C2C=C(C=C3)N=C(N)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)C2CCCC3=C2C=C(C=C3)N=C(N)N

InChI

InChI=1S/C22H27N3O3/c1-2-3-13-27-17-9-11-18(12-10-17)28-21(26)19-6-4-5-15-7-8-16(14-20(15)19)25-22(23)24/h7-12,14,19H,2-6,13H2,1H3,(H4,23,24,25)