3-[[2-(4-carboxyphenyl)imino-8-ethoxy-chromen-3-yl]carbonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-(4-carboxyphenyl)imino-8-ethoxy-chromen-3-yl]carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(4-carboxyphenyl)imino-8-ethoxy-chromene-3-carbonyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[[2-(4-carboxyphenyl)imino-8-ethoxy-1-benzopyran-3-yl]-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(4-carboxyphenyl)imino-8-ethoxychromene-3-carbonyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-(4-carboxyphenyl)imino-8-ethoxy-chromene-3-carbonyl]amino]-4-methyl-benzoic acid Formula: C27H22N2O7 MolecularWeight: 486.47278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=NC3=CC=C(C=C3)C(=O)O)C(=C2)C(=O)NC4=C(C=CC(=C4)C(=O)O)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=NC3=CC=C(C=C3)C(=O)O)C(=C2)C(=O)NC4=C(C=CC(=C4)C(=O)O)C

InChI

InChI=1S/C27H22N2O7/c1-3-35-22-6-4-5-17-13-20(24(30)29-21-14-18(27(33)34)8-7-15(21)2)25(36-23(17)22)28-19-11-9-16(10-12-19)26(31)32/h4-14H,3H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)