methyl 3-[[2-[2-(4-cyanophenyl)ethyl]quinazolin-7-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: methyl 3-[[2-[2-(4-cyanophenyl)ethyl]quinazolin-7-yl]carbonyl-phenyl-amino]propanoate Openeye Name: methyl 3-(N-[2-[2-(4-cyanophenyl)ethyl]quinazoline-7-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[2-(4-cyanophenyl)ethyl]-7-quinazolinyl]-oxomethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-[2-[2-(4-cyanophenyl)ethyl]quinazoline-7-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[2-(4-cyanophenyl)ethyl]quinazoline-7-carbonyl]anilino)propionic acid methyl ester Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=NC(=NC=C3C=C2)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=NC(=NC=C3C=C2)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H24N4O3/c1-35-27(33)15-16-32(24-5-3-2-4-6-24)28(34)22-12-13-23-19-30-26(31-25(23)17-22)14-11-20-7-9-21(18-29)10-8-20/h2-10,12-13,17,19H,11,14-16H2,1H3