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

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-(4-methylpentanoylamino)benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-(4-methylpentanoylamino)benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[(4-methyl-1-oxopentyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-(4-methylpentanoylamino)benzoate Traditional Name: 4-(4-ethylpiperazino)-3-(4-methylpentanoylamino)benzoic acid methyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)CCC(C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)CCC(C)C

InChI

InChI=1S/C20H31N3O3/c1-5-22-10-12-23(13-11-22)18-8-7-16(20(25)26-4)14-17(18)21-19(24)9-6-15(2)3/h7-8,14-15H,5-6,9-13H2,1-4H3,(H,21,24)