6-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoylamino]hexanoic acid

Systemtic Name: 6-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoylamino]hexanoic acid Openeye Name: 6-[2-(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]hexanoic acid CAS Name: 6-[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]hexanoic acid Traditional Name: 6-[2-(3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl)oxypropanoylamino]hexanoic acid Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCCCCCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCCCCCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C27H31NO6/c1-17-21-13-14-23(33-19(3)26(31)28-15-9-5-8-12-24(29)30)18(2)25(21)34-27(32)22(17)16-20-10-6-4-7-11-20/h4,6-7,10-11,13-14,19H,5,8-9,12,15-16H2,1-3H3,(H,28,31)(H,29,30)