8-[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]-8-oxidanylidene-octanoic acid Openeye Name: 8-[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]-8-oxo-octanoic acid CAS Name: 8-[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-8-oxooctanoic acid IUPAC Name: 8-[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-8-oxooctanoic acid Traditional Name: 8-keto-8-[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]phenyl]caprylic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)CCCCCCC(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)CCCCCCC(=O)O

InChI

InChI=1S/C27H29N3O4/c1-3-16-30(18-20-10-15-24-23(17-20)27(34)29-19(2)28-24)22-13-11-21(12-14-22)25(31)8-6-4-5-7-9-26(32)33/h1,10-15,17H,4-9,16,18H2,2H3,(H,32,33)(H,28,29,34)