(1S,6S)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-3,4-dimethyl-6-(4-o-phenetylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylate Formula: C22H29N2O4- MolecularWeight: 385.47666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC(=C(CC3C(=O)[O-])C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H]3CC(=C(C[C@@H]3C(=O)[O-])C)C

InChI

InChI=1S/C22H30N2O4/c1-4-28-20-8-6-5-7-19(20)23-9-11-24(12-10-23)21(25)17-13-15(2)16(3)14-18(17)22(26)27/h5-8,17-18H,4,9-14H2,1-3H3,(H,26,27)/p-1/t17-,18-/m0/s1