(1R,6R)-6-[[4-(2-methylphenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[[4-(2-methylphenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[4-(2-methylphenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[4-(2-methylphenoxy)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[4-(2-methylphenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[4-(2-methylphenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H20NO4- MolecularWeight: 350.3878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-]

InChI

InChI=1S/C21H21NO4/c1-14-6-2-5-9-19(14)26-16-12-10-15(11-13-16)22-20(23)17-7-3-4-8-18(17)21(24)25/h2-6,9-13,17-18H,7-8H2,1H3,(H,22,23)(H,24,25)/p-1/t17-,18-/m1/s1