methyl 2-[(4-bromanyl-2-naphthalen-1-yl-phenyl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(4-bromanyl-2-naphthalen-1-yl-phenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[4-bromo-2-(1-naphthyl)benzoyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[4-bromo-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-naphthalen-1-ylbenzoyl)amino]-3-hydroxypropanoate Traditional Name: 2-[[4-bromo-2-(1-naphthyl)benzoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H18BrNO4/c1-27-21(26)19(12-24)23-20(25)17-10-9-14(22)11-18(17)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,19,24H,12H2,1H3,(H,23,25)