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

Systemtic Name: (1R,6R)-6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-(homoveratrylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C18H22NO5- MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC=CCC2C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])OC

InChI

InChI=1S/C18H23NO5/c1-23-15-8-7-12(11-16(15)24-2)9-10-19-17(20)13-5-3-4-6-14(13)18(21)22/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3,(H,19,20)(H,21,22)/p-1/t13-,14-/m1/s1