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

Systemtic Name: ethyl 3-(heptanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(heptanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-(1-oxoheptylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(heptanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(enanthylamino)benzoic acid ethyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O4/c1-3-5-6-10-13-25(31)28-23-20-22(27(33)34-4-2)14-15-24(23)29-16-18-30(19-17-29)26(32)21-11-8-7-9-12-21/h7-9,11-12,14-15,20H,3-6,10,13,16-19H2,1-2H3,(H,28,31)