3-[2-oxidanylidene-4-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]-4H-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[2-oxidanylidene-4-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]-4H-quinazolin-1-yl]propanoic acid Openeye Name: 3-[3-(1-benzyl-4-piperidyl)-2-oxo-4-phenyl-4H-quinazolin-1-yl]propanoic acid CAS Name: 3-[2-oxo-4-phenyl-3-[1-(phenylmethyl)-4-piperidinyl]-4H-quinazolin-1-yl]propanoic acid IUPAC Name: 3-[3-(1-benzylpiperidin-4-yl)-2-oxo-4-phenyl-4H-quinazolin-1-yl]propanoic acid Traditional Name: 3-[3-(1-benzyl-4-piperidyl)-2-keto-4-phenyl-4H-quinazolin-1-yl]propionic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(C3=CC=CC=C3N(C2=O)CCC(=O)O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C(C3=CC=CC=C3N(C2=O)CCC(=O)O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c33-27(34)17-20-31-26-14-8-7-13-25(26)28(23-11-5-2-6-12-23)32(29(31)35)24-15-18-30(19-16-24)21-22-9-3-1-4-10-22/h1-14,24,28H,15-21H2,(H,33,34)