4-phenylbutyl 2-oxidanyl-5-[[(E)-(3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate

Systemtic Name: 4-phenylbutyl 2-oxidanyl-5-[[(E)-(3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate Openeye Name: 4-phenylbutyl 2-hydroxy-5-[[(E)-(3-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate CAS Name: 2-hydroxy-5-[[(E)-(3-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 2-hydroxy-5-[[(E)-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate Traditional Name: 2-hydroxy-5-[[(E)-(3-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid 4-phenylbutyl ester Formula: C24H23NO5 MolecularWeight: 405.44312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC(=O)C2=C(C=CC(=C2)NC=C3C=C(C=CC3=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC(=O)C2=C(C=CC(=C2)N/C=C/3\C=C(C=CC3=O)O)O

InChI

InChI=1S/C24H23NO5/c26-20-10-12-22(27)18(14-20)16-25-19-9-11-23(28)21(15-19)24(29)30-13-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-12,14-16,25-26,28H,4-5,8,13H2/b18-16+