(1S,6S)-6-[[2,5-bis(ethoxycarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[2,5-bis(ethoxycarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[2,5-bis(ethoxycarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[2,5-bis(ethoxycarbonyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[2,5-bis(ethoxycarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(2,5-dicarbethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H22NO7- MolecularWeight: 388.39118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C20H23NO7/c1-3-27-19(25)12-9-10-15(20(26)28-4-2)16(11-12)21-17(22)13-7-5-6-8-14(13)18(23)24/h5-6,9-11,13-14H,3-4,7-8H2,1-2H3,(H,21,22)(H,23,24)/p-1/t13-,14-/m0/s1