2-[[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)allyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)allyl]amino]-3-hydroxy-propionic acid Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CCNC(CO)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/CNC(CO)C(=O)O

InChI

InChI=1S/C20H31NO4/c1-19(2,3)14-10-13(11-15(17(14)23)20(4,5)6)8-7-9-21-16(12-22)18(24)25/h7-8,10-11,16,21-23H,9,12H2,1-6H3,(H,24,25)/b8-7+