(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H27NO5/c1-3-20-16-22-18(2)15-26(30)32-24(22)17-23(20)33-27(31)21-11-13-28(14-12-21)25(29)10-9-19-7-5-4-6-8-19/h4-10,15-17,21H,3,11-14H2,1-2H3/b10-9+