[2-methoxy-4-[(E)-[(3-methylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate

Systemtic Name: [2-methoxy-4-[(E)-[(3-methylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate Openeye Name: [2-methoxy-4-[(E)-[(3-methylbenzoyl)hydrazono]methyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-methoxy-4-[(E)-[[(3-methylphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-methoxy-4-[(E)-(m-toluoylhydrazono)methyl]phenyl] ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)C)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)C)OC

InChI

InChI=1S/C27H28N2O5/c1-4-5-15-33-23-12-10-21(11-13-23)27(31)34-24-14-9-20(17-25(24)32-3)18-28-29-26(30)22-8-6-7-19(2)16-22/h6-14,16-18H,4-5,15H2,1-3H3,(H,29,30)/b28-18+