ethyl 6-(1,3-benzodioxol-5-yl)-2-methyl-4-oxidanyl-3-phenylazanyl-benzoate

Systemtic Name: ethyl 6-(1,3-benzodioxol-5-yl)-2-methyl-4-oxidanyl-3-phenylazanyl-benzoate Openeye Name: ethyl 3-anilino-6-(1,3-benzodioxol-5-yl)-4-hydroxy-2-methyl-benzoate CAS Name: 3-anilino-6-(1,3-benzodioxol-5-yl)-4-hydroxy-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-anilino-6-(1,3-benzodioxol-5-yl)-4-hydroxy-2-methylbenzoate Traditional Name: 3-anilino-6-(1,3-benzodioxol-5-yl)-4-hydroxy-2-methyl-benzoic acid ethyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1C2=CC3=C(C=C2)OCO3)O)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1C2=CC3=C(C=C2)OCO3)O)NC4=CC=CC=C4)C

InChI

InChI=1S/C23H21NO5/c1-3-27-23(26)21-14(2)22(24-16-7-5-4-6-8-16)18(25)12-17(21)15-9-10-19-20(11-15)29-13-28-19/h4-12,24-25H,3,13H2,1-2H3