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

Systemtic Name: tert-butyl 4-[4-azanyl-3-[(E,2R)-4-(3-cyanophenyl)-2-oxidanyl-but-3-enyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-amino-3-[(E,2R)-4-(3-cyanophenyl)-2-hydroxy-but-3-enyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-amino-3-[(E,2R)-4-(3-cyanophenyl)-2-hydroxybut-3-enyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-amino-3-[(E,2R)-4-(3-cyanophenyl)-2-hydroxybut-3-enyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-amino-3-[(E,2R)-4-(3-cyanophenyl)-2-hydroxy-but-3-enyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)N)CC(C=CC3=CC=CC(=C3)C#N)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)N)C[C@H](/C=C/C3=CC=CC(=C3)C#N)O

InChI

InChI=1S/C27H33N3O4/c1-27(2,3)34-26(32)30-13-11-23(12-14-30)33-24-9-10-25(29)21(17-24)16-22(31)8-7-19-5-4-6-20(15-19)18-28/h4-10,15,17,22-23,31H,11-14,16,29H2,1-3H3/b8-7+/t22-/m0/s1