2-[4-[[2-butyl-6-[[ethyl(methyl)carbamoyl]-(phenylmethyl)amino]-4-oxidanylidene-quinazolin-3-yl]methyl]phenoxy]-2-(2-chlorophenyl)ethanoic acid

Systemtic Name: 2-[4-[[2-butyl-6-[[ethyl(methyl)carbamoyl]-(phenylmethyl)amino]-4-oxidanylidene-quinazolin-3-yl]methyl]phenoxy]-2-(2-chlorophenyl)ethanoic acid Openeye Name: 2-[4-[[6-[benzyl-[ethyl(methyl)carbamoyl]amino]-2-butyl-4-oxo-quinazolin-3-yl]methyl]phenoxy]-2-(2-chlorophenyl)acetic acid CAS Name: 2-[4-[[2-butyl-6-[[[ethyl(methyl)amino]-oxomethyl]-(phenylmethyl)amino]-4-oxo-3-quinazolinyl]methyl]phenoxy]-2-(2-chlorophenyl)acetic acid IUPAC Name: 2-[4-[[6-[benzyl-[ethyl(methyl)carbamoyl]amino]-2-butyl-4-oxoquinazolin-3-yl]methyl]phenoxy]-2-(2-chlorophenyl)acetic acid Traditional Name: 2-[4-[[6-[benzyl-[ethyl(methyl)carbamoyl]amino]-2-butyl-4-keto-quinazolin-3-yl]methyl]phenoxy]-2-(2-chlorophenyl)acetic acid Formula: C38H39ClN4O5 MolecularWeight: 667.19306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)N(CC3=CC=CC=C3)C(=O)N(C)CC)C(=O)N1CC4=CC=C(C=C4)OC(C5=CC=CC=C5Cl)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)N(CC3=CC=CC=C3)C(=O)N(C)CC)C(=O)N1CC4=CC=C(C=C4)OC(C5=CC=CC=C5Cl)C(=O)O

InChI

InChI=1S/C38H39ClN4O5/c1-4-6-16-34-40-33-22-19-28(42(38(47)41(3)5-2)24-26-12-8-7-9-13-26)23-31(33)36(44)43(34)25-27-17-20-29(21-18-27)48-35(37(45)46)30-14-10-11-15-32(30)39/h7-15,17-23,35H,4-6,16,24-25H2,1-3H3,(H,45,46)