methyl 3-[2-[1-[(3-methylphenyl)carbamoyl-phenethyl-amino]propyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[1-[(3-methylphenyl)carbamoyl-phenethyl-amino]propyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[1-[m-tolylcarbamoyl(phenethyl)amino]propyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[1-[[(3-methylanilino)-oxomethyl]-phenethylamino]propyl]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-[(3-methylphenyl)carbamoyl-phenethylamino]propyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[1-[m-tolylcarbamoyl(phenethyl)amino]propyl]quinazolin-3-yl]propionic acid methyl ester Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC)N(CCC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC)N(CCC3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C31H34N4O4/c1-4-27(29-33-26-16-9-8-15-25(26)30(37)35(29)20-18-28(36)39-3)34(19-17-23-12-6-5-7-13-23)31(38)32-24-14-10-11-22(2)21-24/h5-16,21,27H,4,17-20H2,1-3H3,(H,32,38)