phenethyl 2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: phenethyl 2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate Openeye Name: phenethyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxo-butoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-keto-butoxy]-4H-quinazolin-3-yl]acetic acid phenethyl ester Formula: C29H38N4O4 MolecularWeight: 506.63642

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)OCCC4=CC=CC=C4)N

Isomeric SMILES

CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)OCCC4=CC=CC=C4)N

InChI

InChI=1S/C29H38N4O4/c1-32(24-11-6-3-7-12-24)27(34)13-8-17-36-25-14-15-26-23(19-25)20-33(29(30)31-26)21-28(35)37-18-16-22-9-4-2-5-10-22/h2,4-5,9-10,14-15,19,24H,3,6-8,11-13,16-18,20-21H2,1H3,(H2,30,31)