2-[4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-7-methoxy-quinazolin-6-yl]oxyethanoic acid

Systemtic Name: 2-[4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-7-methoxy-quinazolin-6-yl]oxyethanoic acid Openeye Name: 2-[4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-7-methoxy-quinazolin-6-yl]oxyacetic acid CAS Name: 2-[[4-[4-[(4-cyanoanilino)-oxomethyl]-1-piperazinyl]-7-methoxy-6-quinazolinyl]oxy]acetic acid IUPAC Name: 2-[4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxyacetic acid Traditional Name: 2-[4-[4-[(4-cyanophenyl)carbamoyl]piperazino]-7-methoxy-quinazolin-6-yl]oxyacetic acid Formula: C23H22N6O5 MolecularWeight: 462.45798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)OCC(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N)OCC(=O)O

InChI

InChI=1S/C23H22N6O5/c1-33-19-11-18-17(10-20(19)34-13-21(30)31)22(26-14-25-18)28-6-8-29(9-7-28)23(32)27-16-4-2-15(12-24)3-5-16/h2-5,10-11,14H,6-9,13H2,1H3,(H,27,32)(H,30,31)