1-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperazine-2-carboxylic acid

Systemtic Name: 1-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperazine-2-carboxylic acid Openeye Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperazine-2-carboxylic acid CAS Name: 1-[3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]-2-piperazinecarboxylic acid IUPAC Name: 1-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]piperazine-2-carboxylic acid Traditional Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperazine-2-carboxylic acid Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCNCC4C(=O)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCNCC4C(=O)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H27N5O3/c1-20-16-22(10-12-27(20)37-23-7-3-2-4-8-23)33-28-24-17-21(9-11-25(24)31-19-32-28)6-5-14-34-15-13-30-18-26(34)29(35)36/h2-4,7-12,16-17,19,26,30H,13-15,18H2,1H3,(H,35,36)(H,31,32,33)