(E)-4-[1-(cyclopropylamino)-3-[(3-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]propan-2-yl]oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[1-(cyclopropylamino)-3-[(3-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]propan-2-yl]oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[1-[(cyclopropylamino)methyl]-2-(3-phenylchroman-7-yl)oxy-ethoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[1-(cyclopropylamino)-3-[(3-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]propan-2-yl]oxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[1-(cyclopropylamino)-3-[(3-phenyl-3,4-dihydro-2H-chromen-7-yl)oxy]propan-2-yl]oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[1-[(cyclopropylamino)methyl]-2-(3-phenylchroman-7-yl)oxy-ethoxy]-4-keto-but-2-enoic acid Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCC(COC2=CC3=C(CC(CO3)C4=CC=CC=C4)C=C2)OC(=O)C=CC(=O)O

Isomeric SMILES

C1CC1NCC(COC2=CC3=C(CC(CO3)C4=CC=CC=C4)C=C2)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C25H27NO6/c27-24(28)10-11-25(29)32-22(14-26-20-7-8-20)16-30-21-9-6-18-12-19(15-31-23(18)13-21)17-4-2-1-3-5-17/h1-6,9-11,13,19-20,22,26H,7-8,12,14-16H2,(H,27,28)/b11-10+