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

Systemtic Name: ethyl 3-(heptanoylamino)-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-(heptanoylamino)benzoate CAS Name: 3-(1-oxoheptylamino)-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-(heptanoylamino)benzoate Traditional Name: 4-(4-benzylpiperazino)-3-(enanthylamino)benzoic acid ethyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3/c1-3-5-6-10-13-26(31)28-24-20-23(27(32)33-4-2)14-15-25(24)30-18-16-29(17-19-30)21-22-11-8-7-9-12-22/h7-9,11-12,14-15,20H,3-6,10,13,16-19,21H2,1-2H3,(H,28,31)