ethyl 5-ethoxy-3-[2-[4-(phenylmethyl)piperidin-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-ethoxy-3-[2-[4-(phenylmethyl)piperidin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-benzyl-1-piperidyl)acetyl]amino]-5-ethoxy-1H-indole-2-carboxylate CAS Name: 5-ethoxy-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-5-ethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperidino)acetyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCC(CC3)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCC(CC3)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H33N3O4/c1-3-33-21-10-11-23-22(17-21)25(26(28-23)27(32)34-4-2)29-24(31)18-30-14-12-20(13-15-30)16-19-8-6-5-7-9-19/h5-11,17,20,28H,3-4,12-16,18H2,1-2H3,(H,29,31)