4-[4-methylpentanoyl-[(4-oxidanylidene-4-phenylmethoxy-2-pyrrol-1-yl-butanoyl)amino]amino]benzoic acid

Systemtic Name: 4-[4-methylpentanoyl-[(4-oxidanylidene-4-phenylmethoxy-2-pyrrol-1-yl-butanoyl)amino]amino]benzoic acid Openeye Name: 4-[[(4-benzyloxy-4-oxo-2-pyrrol-1-yl-butanoyl)amino]-(4-methylpentanoyl)amino]benzoic acid CAS Name: 4-[[[1,4-dioxo-4-phenylmethoxy-2-(1-pyrrolyl)butyl]amino]-(4-methyl-1-oxopentyl)amino]benzoic acid IUPAC Name: 4-[4-methylpentanoyl-[(4-oxo-4-phenylmethoxy-2-pyrrol-1-ylbutanoyl)amino]amino]benzoic acid Traditional Name: 4-[[(4-benzoxy-4-keto-2-pyrrol-1-yl-butanoyl)amino]-(4-methylpentanoyl)amino]benzoic acid Formula: C28H31N3O6 MolecularWeight: 505.56224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C1=CC=C(C=C1)C(=O)O)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N3C=CC=C3

Isomeric SMILES

CC(C)CCC(=O)N(C1=CC=C(C=C1)C(=O)O)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N3C=CC=C3

InChI

InChI=1S/C28H31N3O6/c1-20(2)10-15-25(32)31(23-13-11-22(12-14-23)28(35)36)29-27(34)24(30-16-6-7-17-30)18-26(33)37-19-21-8-4-3-5-9-21/h3-9,11-14,16-17,20,24H,10,15,18-19H2,1-2H3,(H,29,34)(H,35,36)