(2S)-2-[(4-oxidanylidenechromen-3-yl)carbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[(4-oxidanylidenechromen-3-yl)carbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: (2S)-3-(4-benzyloxyphenyl)-2-[(4-oxochromene-3-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[oxo-(4-oxo-1-benzopyran-3-yl)methyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[(4-oxochromene-3-carbonyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-[(4-ketochromene-3-carbonyl)amino]propionic acid Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=COC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H21NO6/c28-24-20-8-4-5-9-23(20)33-16-21(24)25(29)27-22(26(30)31)14-17-10-12-19(13-11-17)32-15-18-6-2-1-3-7-18/h1-13,16,22H,14-15H2,(H,27,29)(H,30,31)/t22-/m0/s1