ethyl 1-[[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-ethyl-amino]-6-prop-2-enoxy-2H-pyridine-5-carboxylate

Systemtic Name: ethyl 1-[[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-ethyl-amino]-6-prop-2-enoxy-2H-pyridine-5-carboxylate Openeye Name: ethyl 6-allyloxy-1-[[(2-benzyloxy-5-bromo-phenyl)methylamino]-ethyl-amino]-2H-pyridine-5-carboxylate CAS Name: 1-[[(5-bromo-2-phenylmethoxyphenyl)methylamino]-ethylamino]-6-prop-2-enoxy-2H-pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(5-bromo-2-phenylmethoxyphenyl)methylamino]-ethylamino]-6-prop-2-enoxy-2H-pyridine-5-carboxylate Traditional Name: 6-allyloxy-1-[[(2-benzoxy-5-bromo-benzyl)amino]-ethyl-amino]-2H-pyridine-5-carboxylic acid ethyl ester Formula: C27H32BrN3O4 MolecularWeight: 542.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(NCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)N3CC=CC(=C3OCC=C)C(=O)OCC

Isomeric SMILES

CCN(NCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)N3CC=CC(=C3OCC=C)C(=O)OCC

InChI

InChI=1S/C27H32BrN3O4/c1-4-17-34-26-24(27(32)33-6-3)13-10-16-30(26)31(5-2)29-19-22-18-23(28)14-15-25(22)35-20-21-11-8-7-9-12-21/h4,7-15,18,29H,1,5-6,16-17,19-20H2,2-3H3