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

Systemtic Name: ethyl 6-[[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-ethyl-amino]-2-prop-2-enoxy-pyridine-3-carboxylate Openeye Name: ethyl 2-allyloxy-6-[[(2-benzyloxy-5-bromo-phenyl)methylamino]-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[[(5-bromo-2-phenylmethoxyphenyl)methylamino]-ethylamino]-2-prop-2-enoxy-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(5-bromo-2-phenylmethoxyphenyl)methylamino]-ethylamino]-2-prop-2-enoxypyridine-3-carboxylate Traditional Name: 2-allyloxy-6-[[(2-benzoxy-5-bromo-benzyl)amino]-ethyl-amino]nicotinic acid ethyl ester Formula: C27H30BrN3O4 MolecularWeight: 540.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=C(C=C1)C(=O)OCC)OCC=C)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCN(C1=NC(=C(C=C1)C(=O)OCC)OCC=C)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C27H30BrN3O4/c1-4-16-34-26-23(27(32)33-6-3)13-15-25(30-26)31(5-2)29-18-21-17-22(28)12-14-24(21)35-19-20-10-8-7-9-11-20/h4,7-15,17,29H,1,5-6,16,18-19H2,2-3H3