thiophen-2-ylmethyl 5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoate

Systemtic Name: thiophen-2-ylmethyl 5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoate Openeye Name: 2-thienylmethyl 5-[[4-(1H-indol-3-yl)-1-piperidyl]methyl]-2-methoxy-benzoate CAS Name: 5-[[4-(1H-indol-3-yl)-1-piperidinyl]methyl]-2-methoxybenzoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 5-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-2-methoxybenzoate Traditional Name: 5-[[4-(1H-indol-3-yl)piperidino]methyl]-2-methoxy-benzoic acid 2-thenyl ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CNC4=CC=CC=C43)C(=O)OCC5=CC=CS5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CNC4=CC=CC=C43)C(=O)OCC5=CC=CS5

InChI

InChI=1S/C27H28N2O3S/c1-31-26-9-8-19(15-23(26)27(30)32-18-21-5-4-14-33-21)17-29-12-10-20(11-13-29)24-16-28-25-7-3-2-6-22(24)25/h2-9,14-16,20,28H,10-13,17-18H2,1H3