tert-butyl 4-[[(2-bromophenyl)carbamoyl-[(E)-2-methyl-3-phenyl-prop-2-enyl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(2-bromophenyl)carbamoyl-[(E)-2-methyl-3-phenyl-prop-2-enyl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(2-bromophenyl)carbamoyl-[(E)-2-methyl-3-phenyl-allyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[(2-bromoanilino)-oxomethyl]-[(E)-2-methyl-3-phenylprop-2-enyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(2-bromophenyl)carbamoyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(2-bromophenyl)carbamoyl-[(E)-2-methyl-3-phenyl-allyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H36BrN3O3 MolecularWeight: 542.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN(CC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN(CC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C28H36BrN3O3/c1-21(18-22-10-6-5-7-11-22)19-32(26(33)30-25-13-9-8-12-24(25)29)20-23-14-16-31(17-15-23)27(34)35-28(2,3)4/h5-13,18,23H,14-17,19-20H2,1-4H3,(H,30,33)/b21-18+