methyl 2-[[1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]carbonylamino]pentanoate

Systemtic Name: methyl 2-[[1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]carbonylamino]pentanoate Openeye Name: methyl 2-[[1-[(2-benzyloxy-5-bromo-phenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]pentanoate CAS Name: 2-[[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]pentanoate Traditional Name: 2-[[1-(2-benzoxy-5-bromo-benzyl)-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]valeric acid methyl ester Formula: C28H34BrN3O4 MolecularWeight: 556.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC)NC(=O)C1=CC=C(N(C1)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NCC

Isomeric SMILES

CCCC(C(=O)OC)NC(=O)C1=CC=C(N(C1)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)NCC

InChI

InChI=1S/C28H34BrN3O4/c1-4-9-24(28(34)35-3)31-27(33)21-12-15-26(30-5-2)32(17-21)18-22-16-23(29)13-14-25(22)36-19-20-10-7-6-8-11-20/h6-8,10-16,24,30H,4-5,9,17-19H2,1-3H3,(H,31,33)