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

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-(heptanoylamino)benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-(heptanoylamino)benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-(1-oxoheptylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-(heptanoylamino)benzoate Traditional Name: 3-(enanthylamino)-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C22H35N3O3 MolecularWeight: 389.5316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3/c1-4-7-8-9-10-21(26)23-19-17-18(22(27)28-6-3)11-12-20(19)25-15-13-24(5-2)14-16-25/h11-12,17H,4-10,13-16H2,1-3H3,(H,23,26)