ethyl 5,6-dimethoxy-3-[3-[4-(phenylmethyl)piperidin-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5,6-dimethoxy-3-[3-[4-(phenylmethyl)piperidin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(4-benzyl-1-piperidyl)propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[1-oxo-3-[4-(phenylmethyl)-1-piperidinyl]propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-benzylpiperidin-1-yl)propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperidino)propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CCN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CCN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O5/c1-4-36-28(33)27-26(21-17-23(34-2)24(35-3)18-22(21)29-27)30-25(32)12-15-31-13-10-20(11-14-31)16-19-8-6-5-7-9-19/h5-9,17-18,20,29H,4,10-16H2,1-3H3,(H,30,32)