(1S,6S)-6-[(2-phenylethanoylamino)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[(2-phenylethanoylamino)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[[(2-phenylacetyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[oxo-[(1-oxo-2-phenylethyl)hydrazo]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[[(2-phenylacetyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[[(2-phenylacetyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NNC(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@H]1C(=O)NNC(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H18N2O4/c19-14(10-11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-13(12)16(21)22/h1-7,12-13H,8-10H2,(H,17,19)(H,18,20)(H,21,22)/t12-,13-/m0/s1