2-[(4-bromophenyl)-[2-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-3-methyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[(4-bromophenyl)-[2-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-3-methyl-butanoyl]amino]ethanoic acid Openeye Name: 2-(4-bromo-N-[2-[(1-ethoxycarbonyl-3-methyl-butyl)amino]-3-methyl-butanoyl]anilino)acetic acid CAS Name: 2-(4-bromo-N-[2-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutyl]anilino)acetic acid IUPAC Name: 2-(4-bromo-N-[2-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-3-methylbutanoyl]anilino)acetic acid Traditional Name: 2-(4-bromo-N-[2-[(1-carbethoxy-3-methyl-butyl)amino]-3-methyl-butanoyl]anilino)acetic acid Formula: C21H31BrN2O5 MolecularWeight: 471.38524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(C(C)C)C(=O)N(CC(=O)O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCOC(=O)C(CC(C)C)NC(C(C)C)C(=O)N(CC(=O)O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C21H31BrN2O5/c1-6-29-21(28)17(11-13(2)3)23-19(14(4)5)20(27)24(12-18(25)26)16-9-7-15(22)8-10-16/h7-10,13-14,17,19,23H,6,11-12H2,1-5H3,(H,25,26)