methyl 2-[[6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridin-3-yl]carbonylamino]pentanoate

Systemtic Name: methyl 2-[[6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridin-3-yl]carbonylamino]pentanoate Openeye Name: methyl 2-[[6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carbonyl]amino]pentanoate CAS Name: 2-[[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridinyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carbonyl]amino]pentanoate Traditional Name: 2-[[6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]nicotinoyl]amino]valeric acid methyl ester Formula: C28H32BrN3O4 MolecularWeight: 554.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32BrN3O4/c1-4-9-24(28(34)35-3)31-27(33)21-12-15-26(30-17-21)32(5-2)18-22-16-23(29)13-14-25(22)36-19-20-10-7-6-8-11-20/h6-8,10-17,24H,4-5,9,18-19H2,1-3H3,(H,31,33)