2-(2-methylpropanoylamino)-3-[4-oxidanylidene-2-[3-(pyridin-2-ylamino)propyl]chromen-6-yl]propanoic acid

Systemtic Name: 2-(2-methylpropanoylamino)-3-[4-oxidanylidene-2-[3-(pyridin-2-ylamino)propyl]chromen-6-yl]propanoic acid Openeye Name: 2-(2-methylpropanoylamino)-3-[4-oxo-2-[3-(2-pyridylamino)propyl]chromen-6-yl]propanoic acid CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-3-[4-oxo-2-[3-(2-pyridinylamino)propyl]-1-benzopyran-6-yl]propanoic acid IUPAC Name: 2-(2-methylpropanoylamino)-3-[4-oxo-2-[3-(pyridin-2-ylamino)propyl]chromen-6-yl]propanoic acid Traditional Name: 2-(isobutyrylamino)-3-[4-keto-2-[3-(2-pyridylamino)propyl]chromen-6-yl]propionic acid Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCNC3=CC=CC=N3)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCNC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C24H27N3O5/c1-15(2)23(29)27-19(24(30)31)13-16-8-9-21-18(12-16)20(28)14-17(32-21)6-5-11-26-22-7-3-4-10-25-22/h3-4,7-10,12,14-15,19H,5-6,11,13H2,1-2H3,(H,25,26)(H,27,29)(H,30,31)