ethyl 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(cyclopropylmethyl)amino]-2H-pyridine-3-carboxylate

Systemtic Name: ethyl 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(cyclopropylmethyl)amino]-2H-pyridine-3-carboxylate Openeye Name: ethyl 1-[(2-benzyloxy-5-bromo-phenyl)methyl-(cyclopropylmethyl)amino]-2H-pyridine-3-carboxylate CAS Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl-(cyclopropylmethyl)amino]-2H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-bromo-2-phenylmethoxyphenyl)methyl-(cyclopropylmethyl)amino]-2H-pyridine-3-carboxylate Traditional Name: 1-[(2-benzoxy-5-bromo-benzyl)-(cyclopropylmethyl)amino]-2H-pyridine-3-carboxylic acid ethyl ester Formula: C26H29BrN2O3 MolecularWeight: 497.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CN(C1)N(CC2CC2)CC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CN(C1)N(CC2CC2)CC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29BrN2O3/c1-2-31-26(30)22-9-6-14-28(17-22)29(16-20-10-11-20)18-23-15-24(27)12-13-25(23)32-19-21-7-4-3-5-8-21/h3-9,12-15,20H,2,10-11,16-19H2,1H3