tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-ethanoyl-amino]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-ethanoyl-amino]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[acetyl-[(E)-3-(3-cyanophenyl)allyl]amino]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[acetyl-[(E)-3-(3-cyanophenyl)prop-2-enyl]amino]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[acetyl-[(E)-3-(3-cyanophenyl)prop-2-enyl]amino]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[acetyl-[(E)-3-(3-cyanophenyl)allyl]amino]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC=CC1=CC=CC(=C1)C#N)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N(C/C=C/C1=CC=CC(=C1)C#N)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H33N3O4/c1-21(32)31(16-6-9-22-7-5-8-23(19-22)20-29)24-10-12-25(13-11-24)34-26-14-17-30(18-15-26)27(33)35-28(2,3)4/h5-13,19,26H,14-18H2,1-4H3/b9-6+