methyl 4-[2-[1-[(2,6-dimethylphenyl)carbamoyl-hexyl-amino]ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate

Systemtic Name: methyl 4-[2-[1-[(2,6-dimethylphenyl)carbamoyl-hexyl-amino]ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: methyl 4-[2-[1-[(2,6-dimethylphenyl)carbamoyl-hexyl-amino]ethyl]-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-[1-[[(2,6-dimethylanilino)-oxomethyl]-hexylamino]ethyl]-4-oxo-3-quinazolinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[1-[(2,6-dimethylphenyl)carbamoyl-hexylamino]ethyl]-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[2-[1-[(2,6-dimethylphenyl)carbamoyl-hexyl-amino]ethyl]-4-keto-quinazolin-3-yl]butyric acid methyl ester Formula: C30H40N4O4 MolecularWeight: 520.663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC)C(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCCCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC)C(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C30H40N4O4/c1-6-7-8-11-19-33(30(37)32-27-21(2)14-12-15-22(27)3)23(4)28-31-25-17-10-9-16-24(25)29(36)34(28)20-13-18-26(35)38-5/h9-10,12,14-17,23H,6-8,11,13,18-20H2,1-5H3,(H,32,37)