(1S,6R)-6-[(4-benzamido-3-methoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(4-benzamido-3-methoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(4-benzamido-3-methoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(4-benzamido-3-methoxyanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(4-benzamido-3-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(4-benzamido-3-methoxy-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H21N2O5- MolecularWeight: 393.41254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2CC=CCC2C(=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-29-19-13-15(23-21(26)16-9-5-6-10-17(16)22(27)28)11-12-18(19)24-20(25)14-7-3-2-4-8-14/h2-8,11-13,16-17H,9-10H2,1H3,(H,23,26)(H,24,25)(H,27,28)/p-1/t16-,17+/m1/s1