4-[[(2R)-2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoyl]amino]butanoate

Systemtic Name: 4-[[(2R)-2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoyl]amino]butanoate Openeye Name: 4-[[(2R)-2-(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]butanoate CAS Name: 4-[[(2R)-2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]butanoate IUPAC Name: 4-[[(2R)-2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]butanoate Traditional Name: 4-[[(2R)-2-(3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoyl]amino]butyrate Formula: C25H26NO6- MolecularWeight: 436.47704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCCCC(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O[C@H](C)C(=O)NCCCC(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6/c1-15-19-11-12-21(31-17(3)24(29)26-13-7-10-22(27)28)16(2)23(19)32-25(30)20(15)14-18-8-5-4-6-9-18/h4-6,8-9,11-12,17H,7,10,13-14H2,1-3H3,(H,26,29)(H,27,28)/p-1/t17-/m1/s1