2-[[2-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonyl-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]anilino)acetic acid CAS Name: 2-(N-[[2-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]anilino)acetic acid Traditional Name: 2-(N-[2-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]anilino)acetic acid Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC=CC=C3C(=O)N(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC=CC=C3C(=O)N(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H26N4O4/c1-4-14-32(17-21-16-24-25(15-19(21)2)30-20(3)31-28(24)36)26-13-9-8-12-23(26)29(37)33(18-27(34)35)22-10-6-5-7-11-22/h1,5-13,15-16H,14,17-18H2,2-3H3,(H,34,35)(H,30,31,36)