2-[[6-bromanyl-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[6-bromanyl-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-3-methyl-butanoic acid Openeye Name: 2-[[6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-3-methyl-butanoic acid CAS Name: 2-[[6-bromo-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]amino]-3-methylbutanoic acid IUPAC Name: 2-[[6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-3-methylbutanoic acid Traditional Name: 2-[[6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-3-methyl-butyric acid Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N=C1C=C(OC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(C(=O)O)N=C1C=C(OC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20BrNO4/c1-12(2)20(21(24)25)23-17-11-19(13-4-7-15(26-3)8-5-13)27-18-9-6-14(22)10-16(17)18/h4-12,20H,1-3H3,(H,24,25)