ethyl 4-[5-[(heptylamino)methyl]furan-2-yl]benzoate hydrochloride

Systemtic Name: ethyl 4-[5-[(heptylamino)methyl]furan-2-yl]benzoate hydrochloride Openeye Name: ethyl 4-[5-[(heptylamino)methyl]-2-furyl]benzoate hydrochloride CAS Name: 4-[5-[(heptylamino)methyl]-2-furanyl]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[5-[(heptylamino)methyl]furan-2-yl]benzoate hydrochloride Traditional Name: 4-[5-[(heptylamino)methyl]-2-furyl]benzoic acid ethyl ester hydrochloride Formula: C21H30ClNO3 MolecularWeight: 379.9208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC.Cl

Isomeric SMILES

CCCCCCCNCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC.Cl

InChI

InChI=1S/C21H29NO3.ClH/c1-3-5-6-7-8-15-22-16-19-13-14-20(25-19)17-9-11-18(12-10-17)21(23)24-4-2;/h9-14,22H,3-8,15-16H2,1-2H3;1H