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

Systemtic Name: 1-phenylethyl 2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: 1-phenylethyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxo-butanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-1,4-dioxobutyl]-4H-quinazolin-3-yl]acetic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-keto-butanoyl]-4H-quinazolin-3-yl]acetic acid 1-phenylethyl ester Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O4/c1-20(21-9-5-3-6-10-21)37-28(36)19-33-18-23-17-22(13-14-25(23)31-29(33)30)26(34)15-16-27(35)32(2)24-11-7-4-8-12-24/h3,5-6,9-10,13-14,17,20,24H,4,7-8,11-12,15-16,18-19H2,1-2H3,(H2,30,31)