methyl 3-[[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 3-[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)acryloyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NC(CC(=O)OC)C2=CC=CC=C2)Cl)OC

InChI

InChI=1S/C21H22ClNO5/c1-26-18-12-14(11-16(22)21(18)28-3)9-10-19(24)23-17(13-20(25)27-2)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,23,24)/b10-9+