ethyl 1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-phenethyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-phenethyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-phenethyl-piperidine-4-carboxylate CAS Name: 1-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-phenethylpiperidine-4-carboxylate Traditional Name: 1-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-4-phenethyl-isonipecotic acid ethyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)OC)OC)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC)OC)CCC3=CC=CC=C3

InChI

InChI=1S/C27H33NO5/c1-4-33-26(30)27(15-14-21-8-6-5-7-9-21)16-18-28(19-17-27)25(29)13-11-22-10-12-23(31-2)24(20-22)32-3/h5-13,20H,4,14-19H2,1-3H3/b13-11+