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

Systemtic Name: methyl 3-(4-methylpentanoylamino)-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-(4-methylpentanoylamino)benzoate CAS Name: 3-[(4-methyl-1-oxopentyl)amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-(4-methylpentanoylamino)benzoate Traditional Name: 4-(4-benzylpiperazino)-3-(4-methylpentanoylamino)benzoic acid methyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-19(2)9-12-24(29)26-22-17-21(25(30)31-3)10-11-23(22)28-15-13-27(14-16-28)18-20-7-5-4-6-8-20/h4-8,10-11,17,19H,9,12-16,18H2,1-3H3,(H,26,29)