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

Systemtic Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)carbonylamino]prop-2-enoic acid Openeye Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylbenzoyl)amino]prop-2-enoic acid CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-propenoic acid IUPAC Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylbenzoyl)amino]prop-2-enoic acid Traditional Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylbenzoyl)amino]acrylic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)O

InChI

InChI=1S/C21H21NO5/c1-21(2,3)15-7-5-14(6-8-15)19(23)22-16(20(24)25)10-13-4-9-17-18(11-13)27-12-26-17/h4-11H,12H2,1-3H3,(H,22,23)(H,24,25)/b16-10-