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

Systemtic Name: methyl 2-[[6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridin-3-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[6-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carbonyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carbonyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[6-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]nicotinoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C26H28BrN3O5 MolecularWeight: 542.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C26H28BrN3O5/c1-3-30(24-12-9-19(14-28-24)25(32)29-22(16-31)26(33)34-2)15-20-13-21(27)10-11-23(20)35-17-18-7-5-4-6-8-18/h4-14,22,31H,3,15-17H2,1-2H3,(H,29,32)