3-[[2-cyano-2-[methyl-[4-methyl-2-[(phenylmethyl)carbamoyloxy]pentanoyl]amino]ethoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-cyano-2-[methyl-[4-methyl-2-[(phenylmethyl)carbamoyloxy]pentanoyl]amino]ethoxy]methyl]benzoic acid Openeye Name: 3-[[2-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]-methyl-amino]-2-cyano-ethoxy]methyl]benzoic acid CAS Name: 3-[[2-cyano-2-[methyl-[4-methyl-1-oxo-2-[oxo-[(phenylmethyl)amino]methoxy]pentyl]amino]ethoxy]methyl]benzoic acid IUPAC Name: 3-[[2-[[2-(benzylcarbamoyloxy)-4-methylpentanoyl]-methylamino]-2-cyanoethoxy]methyl]benzoic acid Traditional Name: 3-[[2-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]-methyl-amino]-2-cyano-ethoxy]methyl]benzoic acid Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)C(COCC1=CC=CC(=C1)C(=O)O)C#N)OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)N(C)C(COCC1=CC=CC(=C1)C(=O)O)C#N)OC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C26H31N3O6/c1-18(2)12-23(35-26(33)28-15-19-8-5-4-6-9-19)24(30)29(3)22(14-27)17-34-16-20-10-7-11-21(13-20)25(31)32/h4-11,13,18,22-23H,12,15-17H2,1-3H3,(H,28,33)(H,31,32)