tert-butyl 1-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-prop-2-enyl-amino]-2H-pyridine-3-carboxylate

Systemtic Name: tert-butyl 1-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-prop-2-enyl-amino]-2H-pyridine-3-carboxylate Openeye Name: tert-butyl 1-[allyl-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]amino]-2H-pyridine-3-carboxylate CAS Name: 1-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-prop-2-enylamino]-2H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-prop-2-enylamino]-2H-pyridine-3-carboxylate Traditional Name: 1-[allyl-[2-(2-benzoxy-5-bromo-phenyl)ethyl]amino]-2H-pyridine-3-carboxylic acid tert-butyl ester Formula: C28H33BrN2O3 MolecularWeight: 525.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CN(C1)N(CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CN(C1)N(CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)CC=C

InChI

InChI=1S/C28H33BrN2O3/c1-5-16-30(31-17-9-12-24(20-31)27(32)34-28(2,3)4)18-15-23-19-25(29)13-14-26(23)33-21-22-10-7-6-8-11-22/h5-14,17,19H,1,15-16,18,20-21H2,2-4H3