methyl 4-[3-[(4-chlorophenyl)-prop-2-enyl-amino]propoxy]benzoate hydrochloride

Systemtic Name: methyl 4-[3-[(4-chlorophenyl)-prop-2-enyl-amino]propoxy]benzoate hydrochloride Openeye Name: methyl 4-[3-(N-allyl-4-chloro-anilino)propoxy]benzoate hydrochloride CAS Name: 4-[3-(4-chloro-N-prop-2-enylanilino)propoxy]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[3-(4-chloro-N-prop-2-enylanilino)propoxy]benzoate hydrochloride Traditional Name: 4-[3-(N-allyl-4-chloro-anilino)propoxy]benzoic acid methyl ester hydrochloride Formula: C20H23Cl2NO3 MolecularWeight: 396.30752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCCN(CC=C)C2=CC=C(C=C2)Cl.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCCN(CC=C)C2=CC=C(C=C2)Cl.Cl

InChI

InChI=1S/C20H22ClNO3.ClH/c1-3-13-22(18-9-7-17(21)8-10-18)14-4-15-25-19-11-5-16(6-12-19)20(23)24-2;/h3,5-12H,1,4,13-15H2,2H3;1H