3-[4-[(Z)-N-[(4-tert-butylphenyl)carbonylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid

Systemtic Name: 3-[4-[(Z)-N-[(4-tert-butylphenyl)carbonylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid Openeye Name: 3-[4-[(Z)-N-[(4-tert-butylbenzoyl)amino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoic acid CAS Name: 3-[4-[(1Z)-1-[[(4-tert-butylphenyl)-oxomethyl]hydrazinylidene]ethyl]-5-methyl-2-furanyl]propanoic acid IUPAC Name: 3-[4-[(Z)-N-[(4-tert-butylbenzoyl)amino]-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoic acid Traditional Name: 3-[4-[(Z)-N-[(4-tert-butylbenzoyl)amino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)O)C(=NNC(=O)C2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)O)/C(=N\NC(=O)C2=CC=C(C=C2)C(C)(C)C)/C

InChI

InChI=1S/C21H26N2O4/c1-13(18-12-17(27-14(18)2)10-11-19(24)25)22-23-20(26)15-6-8-16(9-7-15)21(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,23,26)(H,24,25)/b22-13-