ethyl 1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidine-2-carboxylate

Systemtic Name: ethyl 1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]-2-thienyl]methyl]piperidine-2-carboxylate CAS Name: 1-[[5-[[4-(2-phenoxyphenyl)-1-piperazinyl]methyl]-2-thiophenyl]methyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-[[4-(2-phenoxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidine-2-carboxylate Traditional Name: 1-[[5-[[4-(2-phenoxyphenyl)piperazino]methyl]-2-thienyl]methyl]pipecolinic acid ethyl ester Formula: C30H37N3O3S MolecularWeight: 519.69808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1CC2=CC=C(S2)CN3CCN(CC3)C4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCCN1CC2=CC=C(S2)CN3CCN(CC3)C4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C30H37N3O3S/c1-2-35-30(34)28-13-8-9-17-33(28)23-26-16-15-25(37-26)22-31-18-20-32(21-19-31)27-12-6-7-14-29(27)36-24-10-4-3-5-11-24/h3-7,10-12,14-16,28H,2,8-9,13,17-23H2,1H3