sodium 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: sodium 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: sodium 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: sodium 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylate IUPAC Name: sodium 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: sodium 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate Formula: C16H20NNaO4 MolecularWeight: 313.32407

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H21NO4.Na/c18-15(19)14-8-6-12(7-9-14)10-17-16(20)21-11-13-4-2-1-3-5-13;/h1-5,12,14H,6-11H2,(H,17,20)(H,18,19);/q;+1/p-1