O5-tert-butyl O1-methyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanedioate

Systemtic Name: O5-tert-butyl O1-methyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanedioate Openeye Name: O5-tert-butyl O1-methyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)allyl]amino]pentanedioate CAS Name: (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanedioic acid O5-tert-butyl ester O1-methyl ester IUPAC Name: 5-O-tert-butyl 1-O-methyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]pentanedioate Traditional Name: (2S)-2-[[(E)-3-(3-phenoxyphenyl)allyl]amino]glutaric acid O5-tert-butyl ester O1-methyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC)NCC=CC1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC)NC/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C25H31NO5/c1-25(2,3)31-23(27)16-15-22(24(28)29-4)26-17-9-11-19-10-8-14-21(18-19)30-20-12-6-5-7-13-20/h5-14,18,22,26H,15-17H2,1-4H3/b11-9+/t22-/m0/s1