methyl (2S)-2-[[(E)-but-2-enoyl]-[(4-methoxyphenyl)methyl]amino]-5-oxidanyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(E)-but-2-enoyl]-[(4-methoxyphenyl)methyl]amino]-5-oxidanyl-pentanoate Openeye Name: methyl (2S)-2-[[(E)-but-2-enoyl]-[(4-methoxyphenyl)methyl]amino]-5-hydroxy-pentanoate CAS Name: (2S)-5-hydroxy-2-[(4-methoxyphenyl)methyl-[(E)-1-oxobut-2-enyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-but-2-enoyl]-[(4-methoxyphenyl)methyl]amino]-5-hydroxypentanoate Traditional Name: (2S)-2-[[(E)-but-2-enoyl]-p-anisyl-amino]-5-hydroxy-valeric acid methyl ester Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N(CC1=CC=C(C=C1)OC)C(CCCO)C(=O)OC

Isomeric SMILES

C/C=C/C(=O)N(CC1=CC=C(C=C1)OC)[C@@H](CCCO)C(=O)OC

InChI

InChI=1S/C18H25NO5/c1-4-6-17(21)19(16(7-5-12-20)18(22)24-3)13-14-8-10-15(23-2)11-9-14/h4,6,8-11,16,20H,5,7,12-13H2,1-3H3/b6-4+/t16-/m0/s1