3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-oxidanylidene-1-pyrrolidin-1-yl-ethyl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-oxidanylidene-1-pyrrolidin-1-yl-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-(2-tert-butoxycarbonylphenyl)-2-oxo-1-pyrrolidin-1-yl-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]-2-oxo-1-(1-pyrrolidinyl)ethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-oxo-1-pyrrolidin-1-ylethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-(2-tert-butoxycarbonylphenyl)-2-keto-1-pyrrolidino-ethyl]carbamoylamino]benzoic acid Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)C(NC(=O)NC2=CC=CC(=C2)C(=O)O)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)C(NC(=O)NC2=CC=CC(=C2)C(=O)O)N3CCCC3

InChI

InChI=1S/C25H29N3O6/c1-25(2,3)34-23(32)19-12-5-4-11-18(19)20(29)21(28-13-6-7-14-28)27-24(33)26-17-10-8-9-16(15-17)22(30)31/h4-5,8-12,15,21H,6-7,13-14H2,1-3H3,(H,30,31)(H2,26,27,33)