3-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-nitroso-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 3-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-nitroso-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 3-methyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-nitroso-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 3-methyl-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-nitroso-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 3-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-nitroso-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 3-methyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-nitroso-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)C(N1N=O)C(=O)O

Isomeric SMILES

CC1CC2=C(C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C)C(N1N=O)C(=O)O

InChI

InChI=1S/C23H23N3O5/c1-14-12-17-8-9-18(13-19(17)21(23(27)28)26(14)25-29)30-11-10-20-15(2)31-22(24-20)16-6-4-3-5-7-16/h3-9,13-14,21H,10-12H2,1-2H3,(H,27,28)