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

Systemtic Name: 4-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynylamino]piperidine-1-carboxylic acid Openeye Name: 4-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynylamino]piperidine-1-carboxylic acid CAS Name: 4-[3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynylamino]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynylamino]piperidine-1-carboxylic acid Traditional Name: 4-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynylamino]piperidine-1-carboxylic acid Formula: C30H29N5O3 MolecularWeight: 507.58296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNC4CCN(CC4)C(=O)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNC4CCN(CC4)C(=O)O)OC5=CC=CC=C5

InChI

InChI=1S/C30H29N5O3/c1-21-18-24(10-12-28(21)38-25-7-3-2-4-8-25)34-29-26-19-22(9-11-27(26)32-20-33-29)6-5-15-31-23-13-16-35(17-14-23)30(36)37/h2-4,7-12,18-20,23,31H,13-17H2,1H3,(H,36,37)(H,32,33,34)