2-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-cyano-phenyl]carbonyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-cyano-phenyl]carbonyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-[bis(tert-butoxycarbonyl)amino]-5-cyano-benzoyl]anilino)acetic acid CAS Name: 2-(N-[[2-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-cyanophenyl]-oxomethyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-cyanobenzoyl]anilino)acetic acid Traditional Name: 2-(N-[2-[bis(tert-butoxycarbonyl)amino]-5-cyano-benzoyl]anilino)acetic acid Formula: C26H29N3O7 MolecularWeight: 495.52436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O7/c1-25(2,3)35-23(33)29(24(34)36-26(4,5)6)20-13-12-17(15-27)14-19(20)22(32)28(16-21(30)31)18-10-8-7-9-11-18/h7-14H,16H2,1-6H3,(H,30,31)