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

Systemtic Name: 3-phenylpropyl 2-oxidanyl-5-[[(E)-(3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO5/c25-19-9-11-21(26)17(13-19)15-24-18-8-10-22(27)20(14-18)23(28)29-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-15,24-25,27H,4,7,12H2/b17-15+