4-[[(2S)-2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]butanoate

Systemtic Name: 4-[[(2S)-2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]butanoate CAS Name: 4-[[(2S)-2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(2-keto-3,4-dimethyl-chromen-7-yl)oxypropanoyl]amino]butyrate Formula: C18H20NO6- MolecularWeight: 346.3545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCCCC(=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)NCCCC(=O)[O-])C

InChI

InChI=1S/C18H21NO6/c1-10-11(2)18(23)25-15-9-13(6-7-14(10)15)24-12(3)17(22)19-8-4-5-16(20)21/h6-7,9,12H,4-5,8H2,1-3H3,(H,19,22)(H,20,21)/p-1/t12-/m0/s1