4-methylpentyl 2-[2-azanyl-6-[4-(dihexylamino)-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: 4-methylpentyl 2-[2-azanyl-6-[4-(dihexylamino)-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: isohexyl 2-[2-amino-6-[4-(dihexylamino)-4-oxo-butanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-(dihexylamino)-1,4-dioxobutyl]-4H-quinazolin-3-yl]acetic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2-[2-amino-6-[4-(dihexylamino)-4-oxobutanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-(dihexylamino)-4-keto-butanoyl]-4H-quinazolin-3-yl]acetic acid isohexyl ester Formula: C32H52N4O4 MolecularWeight: 556.77968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)CCC(=O)C1=CC2=C(C=C1)N=C(N(C2)CC(=O)OCCCC(C)C)N

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)CCC(=O)C1=CC2=C(C=C1)N=C(N(C2)CC(=O)OCCCC(C)C)N

InChI

InChI=1S/C32H52N4O4/c1-5-7-9-11-19-35(20-12-10-8-6-2)30(38)18-17-29(37)26-15-16-28-27(22-26)23-36(32(33)34-28)24-31(39)40-21-13-14-25(3)4/h15-16,22,25H,5-14,17-21,23-24H2,1-4H3,(H2,33,34)