2-(ethylamino)-3-[4-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-(ethylamino)-3-[4-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-(ethylamino)-3-[4-[2-(3-methyl-4-oxo-quinazolin-2-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-(ethylamino)-3-[4-[2-(3-methyl-4-oxo-2-quinazolinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-(ethylamino)-3-[4-[2-(3-methyl-4-oxoquinazolin-2-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-(ethylamino)-3-[4-[2-(4-keto-3-methyl-quinazolin-2-yl)ethoxy]phenyl]propionic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(CC1=CC=C(C=C1)OCCC2=NC3=CC=CC=C3C(=O)N2C)C(=O)O

Isomeric SMILES

CCNC(CC1=CC=C(C=C1)OCCC2=NC3=CC=CC=C3C(=O)N2C)C(=O)O

InChI

InChI=1S/C22H25N3O4/c1-3-23-19(22(27)28)14-15-8-10-16(11-9-15)29-13-12-20-24-18-7-5-4-6-17(18)21(26)25(20)2/h4-11,19,23H,3,12-14H2,1-2H3,(H,27,28)