tert-butyl 4-[4-acetamido-3-[(E)-4-(3-cyanophenyl)-2-oxidanyl-but-3-enyl]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-acetamido-3-[(E)-4-(3-cyanophenyl)-2-oxidanyl-but-3-enyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-acetamido-3-[(E)-4-(3-cyanophenyl)-2-hydroxy-but-3-enyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-acetamido-3-[(E)-4-(3-cyanophenyl)-2-hydroxybut-3-enyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-acetamido-3-[(E)-4-(3-cyanophenyl)-2-hydroxybut-3-enyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-acetamido-3-[(E)-4-(3-cyanophenyl)-2-hydroxy-but-3-enyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H35N3O5 MolecularWeight: 505.6053

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)OC2CCN(CC2)C(=O)OC(C)(C)C)CC(C=CC3=CC=CC(=C3)C#N)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)OC2CCN(CC2)C(=O)OC(C)(C)C)CC(/C=C/C3=CC=CC(=C3)C#N)O

InChI

InChI=1S/C29H35N3O5/c1-20(33)31-27-11-10-26(36-25-12-14-32(15-13-25)28(35)37-29(2,3)4)18-23(27)17-24(34)9-8-21-6-5-7-22(16-21)19-30/h5-11,16,18,24-25,34H,12-15,17H2,1-4H3,(H,31,33)/b9-8+