methyl 3-(heptanoylamino)-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-(heptanoylamino)-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-(heptanoylamino)benzoate CAS Name: 3-(1-oxoheptylamino)-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-(heptanoylamino)benzoate Traditional Name: 4-(4-benzylpiperazino)-3-(enanthylamino)benzoic acid methyl ester Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O3/c1-3-4-5-9-12-25(30)27-23-19-22(26(31)32-2)13-14-24(23)29-17-15-28(16-18-29)20-21-10-7-6-8-11-21/h6-8,10-11,13-14,19H,3-5,9,12,15-18,20H2,1-2H3,(H,27,30)