methyl 4-[[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[4-(3-thienylmethyl)piperazin-1-yl]propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[4-(3-thiophenylmethyl)-1-piperazinyl]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[4-(3-thenyl)piperazino]propanoylamino]methyl]benzoic acid methyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C21H27N3O3S/c1-16(24-10-8-23(9-11-24)14-18-7-12-28-15-18)20(25)22-13-17-3-5-19(6-4-17)21(26)27-2/h3-7,12,15-16H,8-11,13-14H2,1-2H3,(H,22,25)