2-[[4-ethoxycarbonyloxy-5-[(4-methanoylimidazol-1-yl)carbonyl-methyl-amino]-1-oxidanyl-naphthalen-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-ethoxycarbonyloxy-5-[(4-methanoylimidazol-1-yl)carbonyl-methyl-amino]-1-oxidanyl-naphthalen-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-ethoxycarbonyloxy-5-[(4-formylimidazole-1-carbonyl)-methyl-amino]-1-hydroxy-naphthalene-2-carbonyl]amino]acetic acid CAS Name: 2-[[[4-ethoxycarbonyloxy-5-[[(4-formyl-1-imidazolyl)-oxomethyl]-methylamino]-1-hydroxy-2-naphthalenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-ethoxycarbonyloxy-5-[(4-formylimidazole-1-carbonyl)-methylamino]-1-hydroxynaphthalene-2-carbonyl]amino]acetic acid Traditional Name: 2-[[4-carbethoxyoxy-5-[(4-formylimidazole-1-carbonyl)-methyl-amino]-1-hydroxy-2-naphthoyl]amino]acetic acid Formula: C22H20N4O9 MolecularWeight: 484.4156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C2C(=C(C(=C1)C(=O)NCC(=O)O)O)C=CC=C2N(C)C(=O)N3C=C(N=C3)C=O

Isomeric SMILES

CCOC(=O)OC1=C2C(=C(C(=C1)C(=O)NCC(=O)O)O)C=CC=C2N(C)C(=O)N3C=C(N=C3)C=O

InChI

InChI=1S/C22H20N4O9/c1-3-34-22(33)35-16-7-14(20(31)23-8-17(28)29)19(30)13-5-4-6-15(18(13)16)25(2)21(32)26-9-12(10-27)24-11-26/h4-7,9-11,30H,3,8H2,1-2H3,(H,23,31)(H,28,29)