ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(cyclopropylmethyl)amino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(cyclopropylmethyl)amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[(2-benzyloxy-5-bromo-phenyl)methyl-(cyclopropylmethyl)amino]pyridine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-(cyclopropylmethyl)amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-(cyclopropylmethyl)amino]pyridine-3-carboxylate Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-(cyclopropylmethyl)amino]nicotinic acid ethyl ester Formula: C26H27BrN2O3 MolecularWeight: 495.40818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN2O3/c1-2-31-26(30)21-10-13-25(28-15-21)29(16-19-8-9-19)17-22-14-23(27)11-12-24(22)32-18-20-6-4-3-5-7-20/h3-7,10-15,19H,2,8-9,16-18H2,1H3