3-[[2-cyano-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl 4-methoxybenzoate

Systemtic Name: 3-[[2-cyano-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl 4-methoxybenzoate Openeye Name: 3-[[2-cyano-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 3-[[2-cyano-3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]propyl ester IUPAC Name: 3-[[2-cyano-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 3-[[2-cyano-3-(3,4-dichlorophenyl)acryloyl]amino]propyl ester Formula: C21H18Cl2N2O4 MolecularWeight: 433.28462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCCCNC(=O)C(=CC2=CC(=C(C=C2)Cl)Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCCCNC(=O)C(=CC2=CC(=C(C=C2)Cl)Cl)C#N

InChI

InChI=1S/C21H18Cl2N2O4/c1-28-17-6-4-15(5-7-17)21(27)29-10-2-9-25-20(26)16(13-24)11-14-3-8-18(22)19(23)12-14/h3-8,11-12H,2,9-10H2,1H3,(H,25,26)