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

Systemtic Name: (1R,6R)-6-[2-(4-methylphenoxy)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[2-(4-methylphenoxy)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[2-(4-methylphenoxy)ethylamino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[2-(4-methylphenoxy)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[2-(4-methylphenoxy)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H20NO4- MolecularWeight: 302.345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C17H21NO4/c1-12-6-8-13(9-7-12)22-11-10-18-16(19)14-4-2-3-5-15(14)17(20)21/h2-3,6-9,14-15H,4-5,10-11H2,1H3,(H,18,19)(H,20,21)/p-1/t14-,15-/m1/s1