2-[[2-[2-[(3E)-6-(carboxymethylamino)-4-oxidanylidene-3-(4-oxidanylidene-1H-quinazolin-2-ylidene)cyclohexa-1,5-dien-1-yl]oxyethoxy]-4-methyl-phenyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[(3E)-6-(carboxymethylamino)-4-oxidanylidene-3-(4-oxidanylidene-1H-quinazolin-2-ylidene)cyclohexa-1,5-dien-1-yl]oxyethoxy]-4-methyl-phenyl]amino]ethanoic acid Openeye Name: 2-[2-[2-[(3E)-6-(carboxymethylamino)-4-oxo-3-(4-oxo-1H-quinazolin-2-ylidene)cyclohexa-1,5-dien-1-yl]oxyethoxy]-4-methyl-anilino]acetic acid CAS Name: 2-[2-[2-[[(3E)-6-(carboxymethylamino)-4-oxo-3-(4-oxo-1H-quinazolin-2-ylidene)-1-cyclohexa-1,5-dienyl]oxy]ethoxy]-4-methylanilino]acetic acid IUPAC Name: 2-[2-[2-[(3E)-6-(carboxymethylamino)-4-oxo-3-(4-oxo-1H-quinazolin-2-ylidene)cyclohexa-1,5-dien-1-yl]oxyethoxy]-4-methylanilino]acetic acid Traditional Name: 2-[2-[2-[(3E)-6-(carboxymethylamino)-4-keto-3-(4-keto-1H-quinazolin-2-ylidene)cyclohexa-1,5-dien-1-yl]oxyethoxy]-4-methyl-anilino]acetic acid Formula: C27H26N4O8 MolecularWeight: 534.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC(=O)O)OCCOC2=CC(=C3NC4=CC=CC=C4C(=O)N3)C(=O)C=C2NCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NCC(=O)O)OCCOC2=C/C(=C\3/NC4=CC=CC=C4C(=O)N3)/C(=O)C=C2NCC(=O)O

InChI

InChI=1S/C27H26N4O8/c1-15-6-7-19(28-13-24(33)34)22(10-15)38-8-9-39-23-11-17(21(32)12-20(23)29-14-25(35)36)26-30-18-5-3-2-4-16(18)27(37)31-26/h2-7,10-12,28-30H,8-9,13-14H2,1H3,(H,31,37)(H,33,34)(H,35,36)/b26-17+