(1S,6S)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-3,4-dimethyl-6-(piperonylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C18H20NO5- MolecularWeight: 330.3551

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@H](C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[O-])C

InChI

InChI=1S/C18H21NO5/c1-10-5-13(14(18(21)22)6-11(10)2)17(20)19-8-12-3-4-15-16(7-12)24-9-23-15/h3-4,7,13-14H,5-6,8-9H2,1-2H3,(H,19,20)(H,21,22)/p-1/t13-,14-/m0/s1