methyl 2-[2-azanyl-7-[7-[cyclohexyl(hexyl)amino]-7-oxidanylidene-heptanoyl]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-azanyl-7-[7-[cyclohexyl(hexyl)amino]-7-oxidanylidene-heptanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-amino-7-[7-[cyclohexyl(hexyl)amino]-7-oxo-heptanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-7-[7-[cyclohexyl(hexyl)amino]-1,7-dioxoheptyl]-4H-quinazolin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-amino-7-[7-[cyclohexyl(hexyl)amino]-7-oxoheptanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-7-[7-[cyclohexyl(hexyl)amino]-7-keto-heptanoyl]-4H-quinazolin-3-yl]acetic acid methyl ester Formula: C30H46N4O4 MolecularWeight: 526.71064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1CCCCC1)C(=O)CCCCCC(=O)C2=CC3=C(CN(C(=N3)N)CC(=O)OC)C=C2

Isomeric SMILES

CCCCCCN(C1CCCCC1)C(=O)CCCCCC(=O)C2=CC3=C(CN(C(=N3)N)CC(=O)OC)C=C2

InChI

InChI=1S/C30H46N4O4/c1-3-4-5-12-19-34(25-13-8-6-9-14-25)28(36)16-11-7-10-15-27(35)23-17-18-24-21-33(22-29(37)38-2)30(31)32-26(24)20-23/h17-18,20,25H,3-16,19,21-22H2,1-2H3,(H2,31,32)