methyl 4-[5-[(prop-2-enylamino)methyl]furan-2-yl]benzoate hydrochloride

Systemtic Name: methyl 4-[5-[(prop-2-enylamino)methyl]furan-2-yl]benzoate hydrochloride Openeye Name: methyl 4-[5-[(allylamino)methyl]-2-furyl]benzoate hydrochloride CAS Name: 4-[5-[(prop-2-enylamino)methyl]-2-furanyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[5-[(prop-2-enylamino)methyl]furan-2-yl]benzoate hydrochloride Traditional Name: 4-[5-[(allylamino)methyl]-2-furyl]benzoic acid methyl ester hydrochloride Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNCC=C.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNCC=C.Cl

InChI

InChI=1S/C16H17NO3.ClH/c1-3-10-17-11-14-8-9-15(20-14)12-4-6-13(7-5-12)16(18)19-2;/h3-9,17H,1,10-11H2,2H3;1H