(2S)-2-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[2-(4-ethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[2-[(4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]-2-phenylacetic acid Traditional Name: (2S)-2-[2-(4-ethyl-2-keto-chromen-7-yl)oxypropanoylamino]-2-phenyl-acetic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO6/c1-3-14-11-19(24)29-18-12-16(9-10-17(14)18)28-13(2)21(25)23-20(22(26)27)15-7-5-4-6-8-15/h4-13,20H,3H2,1-2H3,(H,23,25)(H,26,27)/t13?,20-/m0/s1