2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxidanylidene-2-(3-phenylmethoxypropyl)chromen-6-yl]propanoic acid

Systemtic Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxidanylidene-2-(3-phenylmethoxypropyl)chromen-6-yl]propanoic acid Openeye Name: 3-[2-(3-benzyloxypropyl)-4-oxo-chromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid CAS Name: 2-[[2,2-dimethylpropoxy(oxo)methyl]amino]-3-[4-oxo-2-(3-phenylmethoxypropyl)-1-benzopyran-6-yl]propanoic acid IUPAC Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxo-2-(3-phenylmethoxypropyl)chromen-6-yl]propanoic acid Traditional Name: 3-[2-(3-benzoxypropyl)-4-keto-chromen-6-yl]-2-(neopentyloxycarbonylamino)propionic acid Formula: C28H33NO7 MolecularWeight: 495.56412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCOCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCOCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H33NO7/c1-28(2,3)18-35-27(33)29-23(26(31)32)15-20-11-12-25-22(14-20)24(30)16-21(36-25)10-7-13-34-17-19-8-5-4-6-9-19/h4-6,8-9,11-12,14,16,23H,7,10,13,15,17-18H2,1-3H3,(H,29,33)(H,31,32)