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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)CCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)CCC(C)C

InChI

InChI=1S/C26H35N3O3/c1-4-32-26(31)22-11-12-24(23(18-22)27-25(30)13-10-20(2)3)29-16-14-28(15-17-29)19-21-8-6-5-7-9-21/h5-9,11-12,18,20H,4,10,13-17,19H2,1-3H3,(H,27,30)