3-[[6-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)naphthalen-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[6-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)naphthalen-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[6-(6-methyl-4-oxo-1H-pyrimidin-2-yl)naphthalene-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[6-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-2-naphthalenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[6-(6-methyl-4-oxo-1H-pyrimidin-2-yl)naphthalene-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[6-(4-keto-6-methyl-1H-pyrimidin-2-yl)-2-naphthoyl]amino]propionic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C19H17N3O4/c1-11-8-16(23)22-18(21-11)14-4-2-13-10-15(5-3-12(13)9-14)19(26)20-7-6-17(24)25/h2-5,8-10H,6-7H2,1H3,(H,20,26)(H,24,25)(H,21,22,23)