(2S)-2-[(1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridin-3-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[(1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridin-3-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[(1-ethyl-4-keto-7-methyl-1,8-naphthyridine-3-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C21H21N3O5/c1-3-24-11-16(18(26)15-9-4-12(2)22-19(15)24)20(27)23-17(21(28)29)10-13-5-7-14(25)8-6-13/h4-9,11,17,25H,3,10H2,1-2H3,(H,23,27)(H,28,29)/t17-/m0/s1