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

Systemtic Name: (1R,6S)-6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-(homoveratrylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C20H26NO5- MolecularWeight: 360.42414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)[O-])C

InChI

InChI=1S/C20H27NO5/c1-12-9-15(16(20(23)24)10-13(12)2)19(22)21-8-7-14-5-6-17(25-3)18(11-14)26-4/h5-6,11,15-16H,7-10H2,1-4H3,(H,21,22)(H,23,24)/p-1/t15-,16+/m0/s1