(1R,6S)-6-[[3-(propanoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[[3-(propanoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[3-(propanoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[oxo-[3-(1-oxopropylamino)anilino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[3-(propanoylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(3-propionamidophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H19N2O4- MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C17H20N2O4/c1-2-15(20)18-11-6-5-7-12(10-11)19-16(21)13-8-3-4-9-14(13)17(22)23/h3-7,10,13-14H,2,8-9H2,1H3,(H,18,20)(H,19,21)(H,22,23)/p-1/t13-,14+/m0/s1