(3R,4S)-3-ethyl-1-methyl-4-[6-(2-methylpropyl)-1-benzofuran-2-yl]piperidine; prop-2-enoic acid

Systemtic Name: (3R,4S)-3-ethyl-1-methyl-4-[6-(2-methylpropyl)-1-benzofuran-2-yl]piperidine; prop-2-enoic acid Openeye Name: acrylic acid; (3R,4S)-3-ethyl-4-(6-isobutylbenzofuran-2-yl)-1-methyl-piperidine CAS Name: (3R,4S)-3-ethyl-1-methyl-4-[6-(2-methylpropyl)-2-benzofuranyl]piperidine; 2-propenoic acid IUPAC Name: (3R,4S)-3-ethyl-1-methyl-4-[6-(2-methylpropyl)-1-benzofuran-2-yl]piperidine; prop-2-enoic acid Traditional Name: acrylic acid; (3R,4S)-3-ethyl-4-(6-isobutylbenzofuran-2-yl)-1-methyl-piperidine Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1C2=CC3=C(O2)C=C(C=C3)CC(C)C)C.C=CC(=O)O

Isomeric SMILES

CC[C@H]1CN(CC[C@@H]1C2=CC3=C(O2)C=C(C=C3)CC(C)C)C.C=CC(=O)O

InChI

InChI=1S/C20H29NO.C3H4O2/c1-5-16-13-21(4)9-8-18(16)20-12-17-7-6-15(10-14(2)3)11-19(17)22-20;1-2-3(4)5/h6-7,11-12,14,16,18H,5,8-10,13H2,1-4H3;2H,1H2,(H,4,5)/t16-,18-;/m0./s1