3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-(1-piperidyl)quinazolin-4-yl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[2-(1-piperidinyl)-4-quinazolinyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(2-piperidinoquinazolin-4-yl)amino]propionic acid Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=NC3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C25H29N5O4/c1-29(2)25(33)34-18-12-10-17(11-13-18)16-21(23(31)32)26-22-19-8-4-5-9-20(19)27-24(28-22)30-14-6-3-7-15-30/h4-5,8-13,21H,3,6-7,14-16H2,1-2H3,(H,31,32)(H,26,27,28)