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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C27H27NO5/c1-18-14-23-22(16-26(30)33-24(23)15-19(18)2)17-32-27(31)21-10-12-28(13-11-21)25(29)9-8-20-6-4-3-5-7-20/h3-9,14-16,21H,10-13,17H2,1-2H3/b9-8+