4-[[(2-carboxycyclohexyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(2-carboxycyclohexyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(2-carboxycyclohexanecarbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(2-carboxycyclohexyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-carboxycyclohexanecarbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-carboxycyclohexanecarbonyl)amino]methyl]benzoic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H19NO5/c18-14(12-3-1-2-4-13(12)16(21)22)17-9-10-5-7-11(8-6-10)15(19)20/h5-8,12-13H,1-4,9H2,(H,17,18)(H,19,20)(H,21,22)