4-[[2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]butanoic acid

Systemtic Name: 4-[[2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]butanoic acid Openeye Name: 4-[[2-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]butanoic acid CAS Name: 4-[[2-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1-benzopyran-4-yl]amino]butanoic acid IUPAC Name: 4-[[2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]butanoic acid Traditional Name: 4-[[2-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]butyric acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C=C(C3=CC=CC=C3O2)NCCCC(=O)O)C=CC1=O

Isomeric SMILES

COC1=CC(=C2C=C(C3=CC=CC=C3O2)NCCCC(=O)O)C=CC1=O

InChI

InChI=1S/C20H19NO5/c1-25-19-11-13(8-9-16(19)22)18-12-15(21-10-4-7-20(23)24)14-5-2-3-6-17(14)26-18/h2-3,5-6,8-9,11-12,21H,4,7,10H2,1H3,(H,23,24)