[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C28H27N3O4/c32-26(30(19-23-11-5-2-6-12-23)17-15-22-9-3-1-4-10-22)20-35-27(33)16-18-31-21-29-25-14-8-7-13-24(25)28(31)34/h1-14,21H,15-20H2