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

Systemtic Name: tert-butyl 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-6-prop-2-enoxy-2H-pyridine-5-carboxylate Openeye Name: tert-butyl 6-allyloxy-1-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]-2H-pyridine-5-carboxylate CAS Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-6-prop-2-enoxy-2H-pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-6-prop-2-enoxy-2H-pyridine-5-carboxylate Traditional Name: 6-allyloxy-1-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]-2H-pyridine-5-carboxylic acid tert-butyl ester Formula: C29H35BrN2O4 MolecularWeight: 555.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)N3CC=CC(=C3OCC=C)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)N3CC=CC(=C3OCC=C)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H35BrN2O4/c1-6-18-34-27-25(28(33)36-29(3,4)5)14-11-17-32(27)31(7-2)20-23-19-24(30)15-16-26(23)35-21-22-12-9-8-10-13-22/h6,8-16,19H,1,7,17-18,20-21H2,2-5H3