(E)-2-[(4-tert-butylphenyl)carbonylamino]-3-(3,4-dimethoxyphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-[(4-tert-butylphenyl)carbonylamino]-3-(3,4-dimethoxyphenyl)prop-2-enoic acid Openeye Name: (E)-2-[(4-tert-butylbenzoyl)amino]-3-(3,4-dimethoxyphenyl)prop-2-enoic acid CAS Name: (E)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-[(4-tert-butylbenzoyl)amino]-3-(3,4-dimethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-[(4-tert-butylbenzoyl)amino]-3-(3,4-dimethoxyphenyl)acrylic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=C(C=C2)OC)OC)/C(=O)O

InChI

InChI=1S/C22H25NO5/c1-22(2,3)16-9-7-15(8-10-16)20(24)23-17(21(25)26)12-14-6-11-18(27-4)19(13-14)28-5/h6-13H,1-5H3,(H,23,24)(H,25,26)/b17-12+