3-methyl-2-[[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-oxocyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1-benzopyran-4-yl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-oxocyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]butanoic acid Traditional Name: 2-[[2-(4-ketocyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]-3-methyl-butyric acid Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=CC(=C2C=CC(=O)C=C2)OC3=CC=CC=C31

Isomeric SMILES

CC(C)C(C(=O)O)NC1=CC(=C2C=CC(=O)C=C2)OC3=CC=CC=C31

InChI

InChI=1S/C20H19NO4/c1-12(2)19(20(23)24)21-16-11-18(13-7-9-14(22)10-8-13)25-17-6-4-3-5-15(16)17/h3-12,19,21H,1-2H3,(H,23,24)