3-(1,3-benzodioxol-5-yl)-2-[(4-butoxyphenyl)carbonylamino]prop-2-enoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-[(4-butoxyphenyl)carbonylamino]prop-2-enoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-[(4-butoxybenzoyl)amino]prop-2-enoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[[(4-butoxyphenyl)-oxomethyl]amino]-2-propenoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-[(4-butoxybenzoyl)amino]prop-2-enoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-[(4-butoxybenzoyl)amino]acrylic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C21H21NO6/c1-2-3-10-26-16-7-5-15(6-8-16)20(23)22-17(21(24)25)11-14-4-9-18-19(12-14)28-13-27-18/h4-9,11-12H,2-3,10,13H2,1H3,(H,22,23)(H,24,25)