(E)-2-[(4-tert-butylphenyl)carbonylamino]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-[(4-tert-butylphenyl)carbonylamino]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-[(4-tert-butylbenzoyl)amino]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-[(4-tert-butylbenzoyl)amino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-[(4-tert-butylbenzoyl)amino]-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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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)O)OC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-21(2,3)15-8-6-14(7-9-15)19(24)22-16(20(25)26)11-13-5-10-17(23)18(12-13)27-4/h5-12,23H,1-4H3,(H,22,24)(H,25,26)/b16-11+