methyl 2-[[5-bromanyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[5-bromanyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[5-bromo-2-(1-tetrazolyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H16BrN5O3 MolecularWeight: 430.25534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)Br)N3C=NN=N3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)Br)N3C=NN=N3

InChI

InChI=1S/C18H16BrN5O3/c1-27-18(26)15(9-12-5-3-2-4-6-12)21-17(25)14-10-13(19)7-8-16(14)24-11-20-22-23-24/h2-8,10-11,15H,9H2,1H3,(H,21,25)