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

Systemtic Name: ethyl 4-[[2-[(3-bromophenyl)carbonylamino]-3-methyl-pentanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[(3-bromobenzoyl)amino]-3-methyl-pentanoyl]amino]benzoate CAS Name: 4-[[2-[[(3-bromophenyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3-bromobenzoyl)amino]-3-methylpentanoyl]amino]benzoate Traditional Name: 4-[[2-[(3-bromobenzoyl)amino]-3-methyl-pentanoyl]amino]benzoic acid ethyl ester Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OCC)NC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OCC)NC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C22H25BrN2O4/c1-4-14(3)19(25-20(26)16-7-6-8-17(23)13-16)21(27)24-18-11-9-15(10-12-18)22(28)29-5-2/h6-14,19H,4-5H2,1-3H3,(H,24,27)(H,25,26)