3-[2-(2-carboxyethyl)-7-[3-(4-nitrophenoxy)propoxy]-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-7-[3-(4-nitrophenoxy)propoxy]-4-oxidanylidene-8-propyl-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-7-[3-(4-nitrophenoxy)propoxy]-4-oxo-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-7-[3-(4-nitrophenoxy)propoxy]-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-7-[3-(4-nitrophenoxy)propoxy]-4-oxo-8-propyl-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-4-keto-7-[3-(4-nitrophenoxy)propoxy]-8-propyl-chroman-2-yl]propionic acid Formula: C27H31NO10 MolecularWeight: 529.53574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2=O)(CCC(=O)O)CCC(=O)O)OCCCOC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2=O)(CCC(=O)O)CCC(=O)O)OCCCOC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H31NO10/c1-2-4-21-23(37-16-3-15-36-19-7-5-18(6-8-19)28(34)35)10-9-20-22(29)17-27(38-26(20)21,13-11-24(30)31)14-12-25(32)33/h5-10H,2-4,11-17H2,1H3,(H,30,31)(H,32,33)