ethyl (2S)-2-[[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]amino]-4-methyl-pentanoate

Systemtic Name: ethyl (2S)-2-[[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]amino]-4-methyl-pentanoate Openeye Name: ethyl (2S)-2-[[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)acryloyl]amino]-4-methyl-valeric acid ethyl ester Formula: C25H39NO4 MolecularWeight: 417.58146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)C=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)NC(=O)/C=C/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C25H39NO4/c1-10-30-23(29)20(13-16(2)3)26-21(27)12-11-17-14-18(24(4,5)6)22(28)19(15-17)25(7,8)9/h11-12,14-16,20,28H,10,13H2,1-9H3,(H,26,27)/b12-11+/t20-/m0/s1