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

Systemtic Name: methyl (2S)-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(CC2=CC=CC=C2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OC

InChI

InChI=1S/C21H23NO5/c1-25-18-11-9-16(14-19(18)26-2)10-12-20(23)22-17(21(24)27-3)13-15-7-5-4-6-8-15/h4-12,14,17H,13H2,1-3H3,(H,22,23)/b12-10+/t17-/m0/s1