methyl (3S)-3-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: (3S)-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C15H15BrN2O3 MolecularWeight: 351.1952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=CN2)Br

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C15H15BrN2O3/c1-21-14(19)8-12(10-5-3-2-4-6-10)18-15(20)13-7-11(16)9-17-13/h2-7,9,12,17H,8H2,1H3,(H,18,20)/t12-/m0/s1