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methyl 4-[3-[2-(heptylamino)-4-oxidanylidene-furan-3-yl]propyl]benzoate

methyl 4-[3-[2-(heptylamino)-4-oxidanylidene-furan-3-yl]propyl]benzoate

Systemtic Name:methyl 4-[3-[2-(heptylamino)-4-oxidanylidene-furan-3-yl]propyl]benzoate
Openeye Name:methyl 4-[3-[2-(heptylamino)-4-oxo-3-furyl]propyl]benzoate
CAS Name:4-[3-[2-(heptylamino)-4-oxo-3-furanyl]propyl]benzoic acid methyl ester
IUPAC Name:methyl 4-[3-[2-(heptylamino)-4-oxofuran-3-yl]propyl]benzoate
Traditional Name:4-[3-[2-(heptylamino)-4-keto-3-furyl]propyl]benzoic acid methyl ester
Formula: C22H31NO4
MolecularWeight: 373.48584
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C(=O)CO1)CCCC2=CC=C(C=C2)C(=O)OC


Isomeric SMILES

CCCCCCCNC1=C(C(=O)CO1)CCCC2=CC=C(C=C2)C(=O)OC


InChI

InChI=1S/C22H31NO4/c1-3-4-5-6-7-15-23-21-19(20(24)16-27-21)10-8-9-17-11-13-18(14-12-17)22(25)26-2/h11-14,23H,3-10,15-16H2,1-2H3


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