ethyl 4-[(E)-1-azanyl-3-[2-(3,3-dimethylpiperidin-1-yl)phenyl]-1-oxidanylidene-hex-3-en-2-yl]benzoate

Systemtic Name: ethyl 4-[(E)-1-azanyl-3-[2-(3,3-dimethylpiperidin-1-yl)phenyl]-1-oxidanylidene-hex-3-en-2-yl]benzoate Openeye Name: ethyl 4-[(E)-1-carbamoyl-2-[2-(3,3-dimethyl-1-piperidyl)phenyl]pent-2-enyl]benzoate CAS Name: 4-[(E)-1-amino-3-[2-(3,3-dimethyl-1-piperidinyl)phenyl]-1-oxohex-3-en-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-3-[2-(3,3-dimethylpiperidin-1-yl)phenyl]-1-oxohex-3-en-2-yl]benzoate Traditional Name: 4-[(E)-1-carbamoyl-2-[2-(3,3-dimethylpiperidino)phenyl]pent-2-enyl]benzoic acid ethyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C1=CC=CC=C1N2CCCC(C2)(C)C)C(C3=CC=C(C=C3)C(=O)OCC)C(=O)N

Isomeric SMILES

CC/C=C(/C1=CC=CC=C1N2CCCC(C2)(C)C)\C(C3=CC=C(C=C3)C(=O)OCC)C(=O)N

InChI

InChI=1S/C28H36N2O3/c1-5-10-23(22-11-7-8-12-24(22)30-18-9-17-28(3,4)19-30)25(26(29)31)20-13-15-21(16-14-20)27(32)33-6-2/h7-8,10-16,25H,5-6,9,17-19H2,1-4H3,(H2,29,31)/b23-10-