methyl 4-[2-[(1R)-1-(hexylamino)ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate

Systemtic Name: methyl 4-[2-[(1R)-1-(hexylamino)ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: methyl 4-[2-[(1R)-1-(hexylamino)ethyl]-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-[(1R)-1-(hexylamino)ethyl]-4-oxo-3-quinazolinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[(1R)-1-(hexylamino)ethyl]-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[2-[(1R)-1-(hexylamino)ethyl]-4-keto-quinazolin-3-yl]butyric acid methyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(C)C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC

Isomeric SMILES

CCCCCCN[C@H](C)C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC

InChI

InChI=1S/C21H31N3O3/c1-4-5-6-9-14-22-16(2)20-23-18-12-8-7-11-17(18)21(26)24(20)15-10-13-19(25)27-3/h7-8,11-12,16,22H,4-6,9-10,13-15H2,1-3H3/t16-/m1/s1