4-[(E)-1-azanyl-3-(2-methyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-hex-3-en-2-yl]benzoate

Systemtic Name: 4-[(E)-1-azanyl-3-(2-methyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-hex-3-en-2-yl]benzoate Openeye Name: 4-[(E)-1-carbamoyl-2-[2-methyl-6-(1-piperidyl)phenyl]pent-2-enyl]benzoate CAS Name: 4-[(E)-1-amino-3-[2-methyl-6-(1-piperidinyl)phenyl]-1-oxohex-3-en-2-yl]benzoate IUPAC Name: 4-[(E)-1-amino-3-(2-methyl-6-piperidin-1-ylphenyl)-1-oxohex-3-en-2-yl]benzoate Traditional Name: 4-[(E)-1-carbamoyl-2-(2-methyl-6-piperidino-phenyl)pent-2-enyl]benzoate Formula: C25H29N2O3- MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C1=C(C=CC=C1N2CCCCC2)C)C(C3=CC=C(C=C3)C(=O)[O-])C(=O)N

Isomeric SMILES

CC/C=C(/C1=C(C=CC=C1N2CCCCC2)C)\C(C3=CC=C(C=C3)C(=O)[O-])C(=O)N

InChI

InChI=1S/C25H30N2O3/c1-3-8-20(23(24(26)28)18-11-13-19(14-12-18)25(29)30)22-17(2)9-7-10-21(22)27-15-5-4-6-16-27/h7-14,23H,3-6,15-16H2,1-2H3,(H2,26,28)(H,29,30)/p-1/b20-8-