4-[[(6-carboxycyclohex-3-en-1-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(6-carboxycyclohex-3-en-1-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(6-carboxycyclohex-3-ene-1-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(6-carboxy-1-cyclohex-3-enyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(6-carboxycyclohex-3-ene-1-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-carboxycyclohex-3-ene-1-carbonyl)amino]methyl]benzoic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H17NO5/c18-14(12-3-1-2-4-13(12)16(21)22)17-9-10-5-7-11(8-6-10)15(19)20/h1-2,5-8,12-13H,3-4,9H2,(H,17,18)(H,19,20)(H,21,22)