(2S)-2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-2-phenylacetic acid Traditional Name: (2S)-2-[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxypropanoylamino]-2-phenyl-acetic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(C3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C22H21NO6/c1-12-13(2)22(27)29-18-11-16(9-10-17(12)18)28-14(3)20(24)23-19(21(25)26)15-7-5-4-6-8-15/h4-11,14,19H,1-3H3,(H,23,24)(H,25,26)/t14?,19-/m0/s1