3-[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynylamino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynylamino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynylamino]-3-oxo-propanoic acid CAS Name: 3-[3-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-ynylamino]-3-oxopropanoic acid IUPAC Name: 3-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynylamino]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynylamino]propionic acid Formula: C26H21N5O4 MolecularWeight: 467.47604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNC(=O)CC(=O)O)OC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNC(=O)CC(=O)O)OC4=CN=CC=C4

InChI

InChI=1S/C26H21N5O4/c1-17-12-19(7-9-23(17)35-20-5-3-10-27-15-20)31-26-21-13-18(6-8-22(21)29-16-30-26)4-2-11-28-24(32)14-25(33)34/h3,5-10,12-13,15-16H,11,14H2,1H3,(H,28,32)(H,33,34)(H,29,30,31)