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

Systemtic Name: 1-phenylethyl 2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate Openeye Name: 1-phenylethyl 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 1-phenylethyl ester IUPAC Name: 1-phenylethyl 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 1-phenylethyl ester Formula: C29H38N4O4 MolecularWeight: 506.63642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)CN2CC3=C(C=CC(=C3)OCCCC(=O)N(C)C4CCCCC4)N=C2N

Isomeric SMILES

CC(C1=CC=CC=C1)OC(=O)CN2CC3=C(C=CC(=C3)OCCCC(=O)N(C)C4CCCCC4)N=C2N

InChI

InChI=1S/C29H38N4O4/c1-21(22-10-5-3-6-11-22)37-28(35)20-33-19-23-18-25(15-16-26(23)31-29(33)30)36-17-9-14-27(34)32(2)24-12-7-4-8-13-24/h3,5-6,10-11,15-16,18,21,24H,4,7-9,12-14,17,19-20H2,1-2H3,(H2,30,31)