2-diethylaminoethyl 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzoate chloride

Systemtic Name: 2-diethylaminoethyl 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzoate chloride Openeye Name: 2-diethylaminoethyl 4-[[(E)-3-(p-tolyl)prop-2-enoyl]amino]benzoate chloride CAS Name: 4-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 2-diethylaminoethyl ester chloride IUPAC Name: 2-diethylaminoethyl 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzoate chloride Traditional Name: 4-[[(E)-3-(p-tolyl)acryloyl]amino]benzoic acid 2-diethylaminoethyl ester chloride Formula: C23H28ClN2O3- MolecularWeight: 415.93302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)C.[Cl-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)C.[Cl-]

InChI

InChI=1S/C23H28N2O3.ClH/c1-4-25(5-2)16-17-28-23(27)20-11-13-21(14-12-20)24-22(26)15-10-19-8-6-18(3)7-9-19;/h6-15H,4-5,16-17H2,1-3H3,(H,24,26);1H/p-1/b15-10+;