methyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-1-oxo-3-(3-phenoxyphenyl)prop-2-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-3-(3-phenoxyphenyl)acryloyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C=CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)/C=C/C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H23NO4/c1-29-25(28)23(18-19-9-4-2-5-10-19)26-24(27)16-15-20-11-8-14-22(17-20)30-21-12-6-3-7-13-21/h2-17,23H,18H2,1H3,(H,26,27)/b16-15+/t23-/m0/s1