4-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-phenyl-butanoic acid

Systemtic Name: 4-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-phenyl-butanoic acid Openeye Name: 4-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-3-phenyl-butanoic acid CAS Name: 4-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-phenylbutanoic acid IUPAC Name: 4-[(6-bromo-2-oxochromene-3-carbonyl)amino]-3-phenylbutanoic acid Traditional Name: 4-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-3-phenyl-butyric acid Formula: C20H16BrNO5 MolecularWeight: 430.24874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)CNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)CNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C20H16BrNO5/c21-15-6-7-17-13(8-15)9-16(20(26)27-17)19(25)22-11-14(10-18(23)24)12-4-2-1-3-5-12/h1-9,14H,10-11H2,(H,22,25)(H,23,24)