(1S,6S)-6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[2-(3,4-diethoxyphenyl)ethylamino]-oxomethyl]-4-methyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylate Formula: C21H28NO5- MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2CC(=CCC2C(=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)[C@H]2CC(=CC[C@@H]2C(=O)[O-])C)OCC

InChI

InChI=1S/C21H29NO5/c1-4-26-18-9-7-15(13-19(18)27-5-2)10-11-22-20(23)17-12-14(3)6-8-16(17)21(24)25/h6-7,9,13,16-17H,4-5,8,10-12H2,1-3H3,(H,22,23)(H,24,25)/p-1/t16-,17-/m0/s1