methyl 3-[[2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(2-bromobenzoyl)amino]-3-methyl-butanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[(2-bromophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2-bromobenzoyl)amino]-3-methylbutanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(2-bromobenzoyl)amino]-3-methyl-butanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H23BrN2O4/c1-12(2)18(24-19(25)15-7-5-6-8-16(15)22)20(26)23-17-11-14(21(27)28-4)10-9-13(17)3/h5-12,18H,1-4H3,(H,23,26)(H,24,25)