methyl (2S)-2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-3-(3,4-diethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-3-(3,4-diethoxyphenyl)acryloyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)NC(CC2=CC=CC=C2)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OCC

InChI

InChI=1S/C23H27NO5/c1-4-28-20-13-11-18(16-21(20)29-5-2)12-14-22(25)24-19(23(26)27-3)15-17-9-7-6-8-10-17/h6-14,16,19H,4-5,15H2,1-3H3,(H,24,25)/b14-12+/t19-/m0/s1