[3-(4-oxidanylidenechromen-2-yl)phenyl] 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: [3-(4-oxidanylidenechromen-2-yl)phenyl] 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: [3-(4-oxochromen-2-yl)phenyl] 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid [3-(4-oxo-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [3-(4-oxochromen-2-yl)phenyl] 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid [3-(4-ketochromen-2-yl)phenyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC(=C2)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC(=C2)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C24H25N3O4/c25-24(26)27-14-15-8-10-16(11-9-15)23(29)30-18-5-3-4-17(12-18)22-13-20(28)19-6-1-2-7-21(19)31-22/h1-7,12-13,15-16H,8-11,14H2,(H4,25,26,27)