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

Systemtic Name: methyl 2-[[1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[1-[(2-benzyloxy-5-bromo-phenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridin-3-yl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[1-(2-benzoxy-5-bromo-benzyl)-6-(ethylamino)-2H-pyridine-3-carbonyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C26H30BrN3O5 MolecularWeight: 544.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(CN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

CCNC1=CC=C(CN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C26H30BrN3O5/c1-3-28-24-12-9-19(25(32)29-22(16-31)26(33)34-2)14-30(24)15-20-13-21(27)10-11-23(20)35-17-18-7-5-4-6-8-18/h4-13,22,28,31H,3,14-17H2,1-2H3,(H,29,32)