4-[[4-ethyl-3-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[4-ethyl-3-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[(5-tert-butoxycarbonyl-4-ethyl-3-methoxycarbonyl-1H-pyrrol-2-yl)methylamino]-2-hydroxy-benzoic acid CAS Name: 4-[[4-ethyl-3-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-1H-pyrrol-2-yl]methylamino]-2-hydroxybenzoic acid IUPAC Name: 4-[[4-ethyl-3-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methylamino]-2-hydroxybenzoic acid Traditional Name: 4-[(5-tert-butoxycarbonyl-3-carbomethoxy-4-ethyl-1H-pyrrol-2-yl)methylamino]-2-hydroxy-benzoic acid Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)CNC2=CC(=C(C=C2)C(=O)O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)CNC2=CC(=C(C=C2)C(=O)O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26N2O7/c1-6-12-16(19(27)29-5)14(23-17(12)20(28)30-21(2,3)4)10-22-11-7-8-13(18(25)26)15(24)9-11/h7-9,22-24H,6,10H2,1-5H3,(H,25,26)