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

Systemtic Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-propan-2-yl-amino]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-isopropyl-amino]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-propan-2-ylamino]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-propan-2-ylamino]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-isopropyl-amino]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H37N3O3 MolecularWeight: 475.62238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)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/C29H37N3O3/c1-22(2)32(17-7-10-23-8-6-9-24(20-23)21-30)25-11-13-26(14-12-25)34-27-15-18-31(19-16-27)28(33)35-29(3,4)5/h6-14,20,22,27H,15-19H2,1-5H3/b10-7+