4-[3-[2-[(4-chloranylphenoxy)methyl]-8-methoxy-4-oxidanylidene-quinazolin-3-yl]propyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[3-[2-[(4-chloranylphenoxy)methyl]-8-methoxy-4-oxidanylidene-quinazolin-3-yl]propyl]piperidine-1-carboxylic acid Openeye Name: 4-[3-[2-[(4-chlorophenoxy)methyl]-8-methoxy-4-oxo-quinazolin-3-yl]propyl]piperidine-1-carboxylic acid CAS Name: 4-[3-[2-[(4-chlorophenoxy)methyl]-8-methoxy-4-oxo-3-quinazolinyl]propyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-[2-[(4-chlorophenoxy)methyl]-8-methoxy-4-oxoquinazolin-3-yl]propyl]piperidine-1-carboxylic acid Traditional Name: 4-[3-[2-[(4-chlorophenoxy)methyl]-4-keto-8-methoxy-quinazolin-3-yl]propyl]piperidine-1-carboxylic acid Formula: C25H28ClN3O5 MolecularWeight: 485.95992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(N(C2=O)CCCC3CCN(CC3)C(=O)O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC2=C1N=C(N(C2=O)CCCC3CCN(CC3)C(=O)O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3O5/c1-33-21-6-2-5-20-23(21)27-22(16-34-19-9-7-18(26)8-10-19)29(24(20)30)13-3-4-17-11-14-28(15-12-17)25(31)32/h2,5-10,17H,3-4,11-16H2,1H3,(H,31,32)