methyl 4-(4-ethylpiperazin-1-yl)-3-(heptanoylamino)benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-(heptanoylamino)benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-(heptanoylamino)benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-(1-oxoheptylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-(heptanoylamino)benzoate Traditional Name: 3-(enanthylamino)-4-(4-ethylpiperazino)benzoic acid methyl ester Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)CC

Isomeric SMILES

CCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)CC

InChI

InChI=1S/C21H33N3O3/c1-4-6-7-8-9-20(25)22-18-16-17(21(26)27-3)10-11-19(18)24-14-12-23(5-2)13-15-24/h10-11,16H,4-9,12-15H2,1-3H3,(H,22,25)