[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] (E)-3-phenylprop-2-enoate Openeye Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [5-(1-azepanylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester IUPAC Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester Formula: C30H40N2O2 MolecularWeight: 460.6508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C30H40N2O2/c1-25-22-30(27-16-10-7-11-17-27,34-28(33)19-18-26-14-8-6-9-15-26)29(2,23-31(25)3)24-32-20-12-4-5-13-21-32/h6-11,14-19,25H,4-5,12-13,20-24H2,1-3H3/b19-18+