4-[[bis(azanyl)methylideneamino]methyl]-1-(3-phenylmethoxycarbonylphenyl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[bis(azanyl)methylideneamino]methyl]-1-(3-phenylmethoxycarbonylphenyl)cyclohexane-1-carboxylic acid Openeye Name: 1-(3-benzyloxycarbonylphenyl)-4-(guanidinomethyl)cyclohexanecarboxylic acid CAS Name: 4-[(diaminomethylideneamino)methyl]-1-(3-phenylmethoxycarbonylphenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(diaminomethylideneamino)methyl]-1-(3-phenylmethoxycarbonylphenyl)cyclohexane-1-carboxylic acid Traditional Name: 1-(3-carbobenzoxyphenyl)-4-(guanidinomethyl)cyclohexanecarboxylic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)(C2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CCC1CN=C(N)N)(C2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H27N3O4/c24-22(25)26-14-16-9-11-23(12-10-16,21(28)29)19-8-4-7-18(13-19)20(27)30-15-17-5-2-1-3-6-17/h1-8,13,16H,9-12,14-15H2,(H,28,29)(H4,24,25,26)