tert-butyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-2-prop-2-enoxy-pyridine-3-carboxylate

Systemtic Name: tert-butyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-2-prop-2-enoxy-pyridine-3-carboxylate Openeye Name: tert-butyl 2-allyloxy-6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-2-prop-2-enoxy-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-2-prop-2-enoxypyridine-3-carboxylate Traditional Name: 2-allyloxy-6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]nicotinic acid tert-butyl ester Formula: C29H33BrN2O4 MolecularWeight: 553.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC(=C(C=C3)C(=O)OC(C)(C)C)OCC=C

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC(=C(C=C3)C(=O)OC(C)(C)C)OCC=C

InChI

InChI=1S/C29H33BrN2O4/c1-6-17-34-27-24(28(33)36-29(3,4)5)14-16-26(31-27)32(7-2)19-22-18-23(30)13-15-25(22)35-20-21-11-9-8-10-12-21/h6,8-16,18H,1,7,17,19-20H2,2-5H3