[2-[(2-butylphenyl)carbamoyl]-1,4-benzodioxin-6-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-[(2-butylphenyl)carbamoyl]-1,4-benzodioxin-6-yl] 3,4,5-trimethoxybenzoate Openeye Name: [2-[(2-butylphenyl)carbamoyl]-1,4-benzodioxin-6-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-[(2-butylanilino)-oxomethyl]-1,4-benzodioxin-6-yl] ester IUPAC Name: [2-[(2-butylphenyl)carbamoyl]-1,4-benzodioxin-6-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-[(2-butylphenyl)carbamoyl]-1,4-benzodioxin-6-yl] ester Formula: C29H29NO8 MolecularWeight: 519.54246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=O)C2=COC3=C(O2)C=CC(=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=O)C2=COC3=C(O2)C=CC(=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C29H29NO8/c1-5-6-9-18-10-7-8-11-21(18)30-28(31)26-17-36-23-16-20(12-13-22(23)38-26)37-29(32)19-14-24(33-2)27(35-4)25(15-19)34-3/h7-8,10-17H,5-6,9H2,1-4H3,(H,30,31)